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Creation of open-shell supramolecular optical and magnetic functional materials with multiradical character

Research Project

Project/Area Number 25248007
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionOsaka University

Principal Investigator

NAKANO Masayoshi  大阪大学, 基礎工学研究科, 教授 (80252568)

Co-Investigator(Kenkyū-buntansha) 久保 孝史  大阪大学, 理学研究科, 教授 (60324745)
米田 京平  奈良工業高等専門学校, 物質化学工学科, 助教 (80734102)
鎌田 賢司  国立研究開発法人産業技術総合研究所, 材料・化学領域, 上級主任研究員 (90356816)
Project Period (FY) 2013-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥45,370,000 (Direct Cost: ¥34,900,000、Indirect Cost: ¥10,470,000)
Fiscal Year 2017: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2016: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2015: ¥7,280,000 (Direct Cost: ¥5,600,000、Indirect Cost: ¥1,680,000)
Fiscal Year 2014: ¥13,390,000 (Direct Cost: ¥10,300,000、Indirect Cost: ¥3,090,000)
Fiscal Year 2013: ¥19,240,000 (Direct Cost: ¥14,800,000、Indirect Cost: ¥4,440,000)
Keywords開殻分子 / 非線形光学 / マルチラジカル / 超分子 / 分子集合系 / スピン / 非対称 / 第一原理計算 / 開殻性 / ジラジカル / 開殻一重項 / フェナレニルラジカル / 光物性 / 量子化学 / 励起状態
Outline of Final Research Achievements

We elucidated the correlation between the nonlinear optical (NLO) and magnetic response functions, the structure and electronic states of nano-sized molecular substances having open-shell nature and created novel NLO substances by conducting research under the cooperation of the theory-synthesis-measurement fields: (1) theoretical design of various open-shell aggregates with tuning open-shell nature, asymmetric charge and spin states as control factors, and theoretical prediction of their NLO properties; (2) creation of π stacked aggregate systems composed of phenalenyl molecules; (3) measurement of two-photon absorption of diphenalenyl crystals with strong intermolecular interaction caused by open-shell nature and significant NLO. We succeeded in pioneering the field of novel NLO response functions of theoretically-driven nano-sized open-shell molecular substances by discovering the remarkable increase and controllability in their functions and confirming the theoretical prediction.

Report

(6 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • Research Products

    (519 results)

All 2018 2017 2016 2015 2014 2013 Other

All Int'l Joint Research (16 results) Journal Article (126 results) (of which Int'l Joint Research: 36 results,  Peer Reviewed: 124 results,  Acknowledgement Compliant: 53 results,  Open Access: 13 results) Presentation (368 results) (of which Int'l Joint Research: 70 results,  Invited: 45 results) Book (4 results) Remarks (5 results)

  • [Int'l Joint Research] Namur Univ.(ベルギー)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Universitat Bielefeld(ドイツ)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Univ. of Malaga(スペイン)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Oregon Univ.(米国)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] King Khalid Univ.(サウジアラビア)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research]

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Namur Univ(ベルギー)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] National University of Singapore(シンガポール)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] Univ. of Malaga(スペイン)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] Oregon Univ.(米国)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] King Khalid Univ.(サウジアラビア)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] University of Namur(Belgium)

    • Related Report
      2015 Annual Research Report
  • [Int'l Joint Research] Oregon Univ.(米国)

    • Related Report
      2015 Annual Research Report
  • [Int'l Joint Research] Univ. of Malaga(Spain)

    • Related Report
      2015 Annual Research Report
  • [Int'l Joint Research] Uppsala Univ.(Sweden)

    • Related Report
      2015 Annual Research Report
  • [Int'l Joint Research] King Khalid Univ.(Saudi Arabia)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Tunability of Open-Shell Character, Charge Asymmetricity and Third-Order Nonlinear Optical Properties of Covalently-Linked (Hetero)Phenalenyl Dimers2018

    • Author(s)
      Y. Minamida, R. Kishi, K. Fukuda, H. Matsui, S. Takamuku, M. Yamane, T. Tonami, M. Nakano
    • Journal Title

      Chem. Eur. J.

      Volume: 24 Issue: 8 Pages: 1-10

    • DOI

      10.1002/chem.201704679

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and Functionalization of a 1,4-Bis(trimethylsilyl)tetrasila-1,3-diene through the Selective Cleavage of Si(sp2)-Si(sp3) Bonds under Mild Reaction Conditions2018

    • Author(s)
      N. Akasaka, K. Fujieda, E. Garoni, K. Kamada, H. Matsui, M. Nakano, T. Iwamoto
    • Journal Title

      Organometalics

      Volume: 37 Issue: 2 Pages: 172-175

    • DOI

      10.1021/acs.organomet.7b00864

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical study on third-order nonlinear optical property of one-dimensional cyclic thiazyl radical aggregates: intermolecular distance, open-shell nature, and spin state dependences2018

    • Author(s)
      H. Matsui, M. Yamane, T. Tonami, M. Nakano, M. de Wergifosse, T. Seidler, B. Champagne
    • Journal Title

      J. Phys. Chem. C

      Volume: 122 Issue: 12 Pages: 6779-6785

    • DOI

      10.1021/acs.jpcc.7b11319

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Benzonorcorrole Ni(II) Complexes: Enhancement of Paratropic Ring Current and Singlet Diradical Character by Benzo-Fusion2018

    • Author(s)
      Takuya Yoshida, Kohtaro Takahashi, Yuki Ide, Ryohei Kishi, Jun-ya Fujiyoshi, Sangsu Lee, Yuya Hiraoka, Dongho Kim, Masayoshi Nakano, Takahisa Ikeue, Hiroko Yamada, Hiroshi Shinokubo
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 57 Issue: 8 Pages: 2209-2213

    • DOI

      10.1002/anie.201712961

    • NAID

      120006477484

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Molecular design for efficient singlet fission2018

    • Author(s)
      S. Ito, T. Nagami, M. Nakano
    • Journal Title

      J. Photochem. Photobiol. C: Photochem. Rev.

      Volume: 34 Pages: 85-120

    • DOI

      10.1016/j.jphotochemrev.2018.01.002

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on gigantic effect of external static electric field application on nonlinear optical properties of 1,2,3,5-dithiadiazolyl π-radical dimer2018

    • Author(s)
      Hiroshi Matsui, Masaki Yamane, Takayoshi Tonami, Takanori Nagami, Kenichiro Watanabe, Ryohei Kishi, Yasutaka Kitagawa, and Masayoshi Nakano
    • Journal Title

      Mater. Chem. Front.

      Volume: 2 Issue: 4 Pages: 785-790

    • DOI

      10.1039/c7qm00549k

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Polarity-Dependent Isomerization of an Unsymmetrical Overcrowded Ethylene Promoted by Zwitterionic Contribution in the Twisted Isomer2018

    • Author(s)
      Hirao, Yasukazu; Nagamachi, Nobuhiro; Hosoi, Katsuma; Kubo, Takashi
    • Journal Title

      Chem. Asian J.

      Volume: 13 Issue: 5 Pages: 510-514

    • DOI

      10.1002/asia.201701805

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unforeseen 1,2-Aryl Shift in Tetraarylpyrrolo[3,2-b]pyrroles Triggered by Oxidative Aromatic Coupling2018

    • Author(s)
      Krzeszewski, Maciej; Sahara, Keisuke; Poronik, Yevgen M.; Kubo, Takashi, Gryko, Daniel T.
    • Journal Title

      Org. Lett.

      Volume: 20 Issue: 6 Pages: 1517-1520

    • DOI

      10.1021/acs.orglett.8b00223

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Open-Shell Character Dependences of Second Hyperpolarizability in Two-Dimensional Tetraradicaloids2018

    • Author(s)
      H. Matsui, S. Ito, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 122 Issue: 14 Pages: 3680-3687

    • DOI

      10.1021/acs.jpca.7b12456

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Triaminotriborane(3): A Homocatenated Boron Chain Connected by B-B Multiple Bonds2018

    • Author(s)
      Shogo Morisako, Rong Shang, Yohsuke Yamamoto, Hiroshi Matsui, Masayoshi Nakano
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 56 Issue: 48 Pages: 15234-15240

    • DOI

      10.1002/anie.201708215

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold2018

    • Author(s)
      N. Suzuki, K. Suda, D. Yokogawa, H. Kitoh-Nishioka, S. Irle, A. Ando, L. M. Abegao, K. Kamada, A. Fukazawa, and S. Yamaguchi
    • Journal Title

      Chem. Sci.

      Volume: 9 Issue: 10 Pages: 2666-2673

    • DOI

      10.1039/c8sc00066b

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] A novel multifunctional cyclometallated iridium(III) complex with interesting second-order nonlinear optical properties and two-photon absorption activity2018

    • Author(s)
      A. Colombo, E. Garoni, C. Dragonetti, S. Righetto, D. Roberto, N. Baggi, M. Escadeillas, V. Guerchais, and K. Kamada
    • Journal Title

      Polyhedr.

      Volume: 140 Pages: 116-121

    • DOI

      10.1016/j.poly.2017.12.009

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Does Inactive Alkyl Chain Enhance Triplet-triplet Annihilation of 9,10-diphenylanthracene Derivatives?2018

    • Author(s)
      R. Sato, H. Kitoh-Nishioka, K. Kamada, T. Mizokuro, K. Kobayashi, Y. Shigeta
    • Journal Title

      J. Phys. Chem. C

      Volume: 122 Issue: 10 Pages: 5334-5340

    • DOI

      10.1021/acs.jpcc.8b01328

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Strong nonlinear optical response in the visible spectral range with organic epsilon-near-zero thin films2018

    • Author(s)
      Yeon Ui Lee, Eleonora Garoni, Hanayo Kita, Kenji Kamada, Byung Hoon Woo, Young Chul Jun, Sang Min Chae, Hyo Jung Kim, Kwang Jin Lee, Seokhyun Yoon, Eunyoung Choi, Fabrice Mathevet, Igor Ozerov, Jean Charles Ribierre, Jeong Weon Wu, and Anthony D’Aleo
    • Journal Title

      Advanced Optical Materials

      Volume: 印刷中

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Generation of Aromatic (Dehydro)benzoannulene Dications Stabilized by Platinum Catecholate Complexes2017

    • Author(s)
      Kazukuni Tahara, Hiroyoshi Kozuma, Varadhachari Venkatesh, Eri Ryomura, Hirokazu Miyoshi, Keigo Nakamachi, Ryohei Kishi, Hideaki Takahashi, Masayoshi Nakano, Yoshito Tobe
    • Journal Title

      ChemPlusChem

      Volume: 82 Issue: 7 Pages: 1052-1056

    • DOI

      10.1002/cplu.201700018

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Intramolecular Pancake-bonding in Helical Structures2017

    • Author(s)
      S. Takamuku, M. Nakano, M. Kertesz
    • Journal Title

      Chem.-Eur. J.

      Volume: 23 Issue: 31 Pages: 7474-7482

    • DOI

      10.1002/chem.201700999

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint.2017

    • Author(s)
      M. Nakano
    • Journal Title

      Topics in Current Chemistry

      Volume: ー Issue: 2 Pages: 47-114

    • DOI

      10.1007/s41061-017-0134-7

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Elucidation of Intramolecular Through‐Space Electronic Communication in Propeller‐Shaped Molecule2017

    • Author(s)
      Takuya Kodama, Yasukazu Hirao, Tomohiko Nishiuch, Takashi Kubo
    • Journal Title

      ChemPlusChem

      Volume: 印刷中 Issue: 7 Pages: 1006-1009

    • DOI

      10.1002/cplu.201700045

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study on the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals2017

    • Author(s)
      Y. Minamida, H. Matsui, K. Fukuda, T. Nagami, J.-y. Fujiyoshi, K. Yoneda, S. Takamuku, R. Kishi, Y. Kitagawa, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 121 Issue: 21 Pages: 4171-4179

    • DOI

      10.1021/acs.jpca.7b03014

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Direct Quantitative Measurement of the C=O・・・H-C Bond by Atomic Force Microscopy2017

    • Author(s)
      Kawai, Shigeki; Nishiuchi, Tomohiko; Kodama, Takuya; Spijker, Peter; Pawlak, Remy; Meier, Tobias; Tracey, John; Kubo, Takashi; Meyer, Ernst; Foster, Adam S.
    • Journal Title

      Sci. Adv.

      Volume: 3 Issue: 5

    • DOI

      10.1126/sciadv.1603258

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Third-Order Nonlinear Optical Properties of One-Dimensional Quinoidal Oligothiophene Derivatives Involving Phenoxyl Groups2017

    • Author(s)
      R. Kishi, T. Katsurayama, S. Ochi, A. Makino, N. Matsushita, M. Saito, T. Nagami, J.-y. Fujiyoshi, M. Nakano
    • Journal Title

      ChemistryOpen

      Volume: 6 Issue: 4 Pages: 506-513

    • DOI

      10.1002/open.201700083

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Rational design of doubly-bridged chromophores for singlet fission and triplet-triplet annihilation2017

    • Author(s)
      S. Ito, T. Nagami, M. Nakano
    • Journal Title

      RSC Advances

      Volume: 7 Issue: 55 Pages: 34830-34845

    • DOI

      10.1039/c7ra06032g

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Intermolecular Packing Effects on Singlet Fission in Oligorylene Dimers2017

    • Author(s)
      Takanori Nagami, Soichi Ito, Takashi Kubo, Masayoshi Nakano
    • Journal Title

      ACS Omega

      Volume: 2 Issue: 8 Pages: 5095-5103

    • DOI

      10.1021/acsomega.7b00655

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Synthesis of 7,12-Dimesitylindeno[1,2-a]fluorene, the Sole Unknown Indenofluorene Regioisomer, and Crystallographic Characterization via Its Dianion2017

    • Author(s)
      Justin Dressler, Zheng Zhou, Jonathan Marshall, Ryohei Kishi, Shota Takamuku, Zheng Wei, Sarah Spisak, Masayoshi Nakano, Marina Petrukhina, Michael Mark Haley
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 56 Issue: 48 Pages: 15363-15367

    • DOI

      10.1002/anie.201709282

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Benzenoid Quinodimethanes2017

    • Author(s)
      Konishi, Akihito; Kubo, Takashi
    • Journal Title

      Top. Curr. Chem.

      Volume: 375 Issue: 6 Pages: 1-37

    • DOI

      10.1007/s41061-017-0171-2

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] π-Expanded dpyrrolonaphthyridinediones with large two-photon absorption cross-section values2017

    • Author(s)
      B. Sadowski, H. Kita, M. Grzybowski, K. Kamada, and D. T. Gryko
    • Journal Title

      J. Org. Chem.

      Volume: 82 Issue: 14 Pages: 7254-7264

    • DOI

      10.1021/acs.joc.7b00831

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Two-photon absorption in pentacene dimers: The importance of the tether using upconversion as an indirect route to singlet fission2017

    • Author(s)
      E. Garoni, J. Zirzlmeier, B. S. Basel, C. Hetzer, K. Kamada, D. M. Guldi, and R. R. Tykwinski
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 139 Issue: 40 Pages: 14017-14020

    • DOI

      10.1021/jacs.7b08287

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Open-Shell-Character-Based Molecular Design Principles: Applications to Nonlinear Optics and Singlet Fission2017

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Rec.

      Volume: 17 Issue: 1 Pages: 27-62

    • DOI

      10.1002/tcr.201600094

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Tuning nonlinear optical properties by diradical and charge transfer characters of Chichibabin’s hydrocar-bon derivatives2017

    • Author(s)
      K. Fukuda, Y. Suzuki, H. Matsui, T. Nagami, Y. Kitagawa, B. Champagne, K. Kamada, Y. Yamamoto, M. Nakano
    • Journal Title

      ChemPhysChem

      Volume: 18 Issue: 1 Pages: 142-148

    • DOI

      10.1002/cphc.201601226

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems2017

    • Author(s)
      M. Nakano, K. Fukuda, S. Ito, H. Matsui, T. Nagami, S. Takamuku, Y. Kitagawa, B. Champagne
    • Journal Title

      J. Phys. Chem. A

      Volume: 121 Issue: 4 Pages: 861-873

    • DOI

      10.1021/acs.jpca.6b11647

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids2017

    • Author(s)
      Hirokazu Miyoshi, Masahito Miki, Shintaro Hirano, Akihiro Shimizu, Ryohei Kishi, Kotaro Fukuda, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Ichiro Hisaki, Masayoshi Nakano, Yoshito Tobe
    • Journal Title

      J. Org. Chem.

      Volume: 82 Issue: 3 Pages: 1380-1388

    • DOI

      10.1021/acs.joc.6b02500

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Impact of diradical/ionic character on third-order nonlinear optical property in asymmetric phenalenyl dimers2017

    • Author(s)
      K. Fukuda, N. Matsushita, Y. Minamida, H. Matsui, T. Nagami, S. Takamuku, Y. Kitagawa, M. Nakano
    • Journal Title

      ChemistrySelect

      Volume: 2 Issue: 6 Pages: 2084-2087

    • DOI

      10.1002/slct.201700092

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Investigation of Curved π-Conjugated Fullerene Flakes: Open-Shell Character, Aromaticity, and Third-Order Nonlinear Optical Property2017

    • Author(s)
      Kotaro Fukuda, Jun-ya Fujiyoshi, Yuka Minamida, Takanori Nagami, Hiroshi Matsui, Soichi Ito, Ryohei Kishi, Yasutaka Kitagawa, Masayoshi Nakano, Benoit Champagne
    • Journal Title

      J. Phys. Org. Chem.

      Volume: 30 Issue: 4 Pages: 1099-1395

    • DOI

      10.1002/poc.3581

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on Quasi-One-Dimensional Open-Shell Singlet Ladder Oligomers: Multi-Radical Nature, Aromaticity and Second Hyperpolarizability2017

    • Author(s)
      K. Fukuda, J. Fujiyoshi, H. Matsui, T. Nagami, S. Takamuku, Y. Kitagawa, B. Champagne, M. Nakano
    • Journal Title

      Org. Chem. Front.

      Volume: 印刷中 Issue: 5 Pages: 779-789

    • DOI

      10.1039/c7qo00108h

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Synthesis, crystal structure, and photophysical properties of 2,9-disubstituted peropyrene derivatives2017

    • Author(s)
      K. Uchida, T. Kubo, D. Yamanaka, A. Furube, H. Matsuzaki, R. Nishii, Y. Sakagami, A. Abulikemu, K. Kamada
    • Journal Title

      Can. J. Chem.

      Volume: - Issue: 4 Pages: 432-444

    • DOI

      10.1139/cjc-2016-0569

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Syntheses of Partially Brominated Derivatives of Tetra-2-thienylmethane for Three-Dimensionally Extended π-Electron Systems2017

    • Author(s)
      K. Matsumoto, T. Suzuki, Y. Hirao, H. Kurata, T. Kubo
    • Journal Title

      Heterocycles

      Volume: 95 Issue: 1 Pages: 615-623

    • DOI

      10.3987/com-16-s(s)44

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Anthroxyl-based biradical: toward the construction of highly stable multi-spin systems2017

    • Author(s)
      Yasukazu Hirao, Akihito Konishia, Takashi Kubo
    • Journal Title

      Org. Chem. Front.

      Volume: 印刷中 Issue: 5 Pages: 828-838

    • DOI

      10.1039/c7qo00130d

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Diindeno-fusion of an anthracene as a design strategy for stable organic biradicals2016

    • Author(s)
      Gabriel E. Rudebusch, Jose L. Zafra, Kjell Jorner, Kotaro Fukuda, Jonathan L. Marshall, Iratxe Arrechea-Marcos, Guzman L. Espejo, Rocio Ponce Ortiz, Carlos J. Gomez-Garcia, Lev N. Zakharov, Masayoshi Nakano, Henrik Ottosson, Juan Casado and Michael M. Haley
    • Journal Title

      Nat. Chem.

      Volume: 8 Issue: 8 Pages: 753-759

    • DOI

      10.1038/nchem.2518

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Origin of the Enhancement of the Second Hyperpolarizabilities of Metal-Carbon Bonds2016

    • Author(s)
      S. Takamuku, Y. Kitagawa, T. Nagami, J. Fujiyoshi, B. Champagne, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Issue: 34 Pages: 6838-6845

    • DOI

      10.1021/acs.jpca.6b05711

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A Biradical Balancing Act: Redox Amphoterism in a Diindenoanthracene Derivative Results from Quinoidal Acceptor and Aromatic Donor Motifs2016

    • Author(s)
      G. E. Rudebusch, J. L. Zafra, M. Pena-Alvarez, G. L. Espejo, S. N. Spisak, K. Fukuda, Z. Wei, M. Nakano, M. A. Petrukhina, J. Casado, M. M. Haley
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 138 Issue: 38 Pages: 12648-12654

    • DOI

      10.1021/jacs.6b07882

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] The Role of Singlet Diradical Character in Carbon Nanomaterials: a Novel Hot Spot for Efficient Nonlinear Optical Materials2016

    • Author(s)
      S. Muhammad, M. Nakano, A. G. Al-Sehemi, Y. Kitagawa, A. Irfan, A. R. Chaudhry, R. Kishi, S. Ito, K. Yoneda, K. Fukuda
    • Journal Title

      Nanoscale

      Volume: 8 Issue: 42 Pages: 17998-18020

    • DOI

      10.1039/c6nr06097h

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on the Spin State and Open-Shell Character Dependences of the Second Hyperpolarizability in Hydrogen Chain Models2016

    • Author(s)
      H. Matsui, M. Nakano, B. Champagne
    • Journal Title

      Phys. Rev. A

      Volume: 94 Issue: 4 Pages: 042515-042515

    • DOI

      10.1103/physreva.94.042515

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on the Second Hyperpolarizailities of One-Dimensional Systems Composed of Carbon and Silicon π-Structures2016

    • Author(s)
      H. Matsui, T. Nagami, S. Takamuku, S. Ito, Y. Kitagawa, M. Nakano
    • Journal Title

      Molecules

      Volume: 21 Issue: 11 Pages: 1540-1540

    • DOI

      10.3390/molecules21111540

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Sub-10-ns single-shot dynamic recording in holographic polymeric medium by nonlinear absorption2016

    • Author(s)
      Kenji Kamada, Kazuyuki Satoh, Yoshito Tanaka
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Stealth fast photoswitching of negative photochromic naphthalene-bridged phenoxyl-imidazolyl radical complexes2016

    • Author(s)
      Katsuya Mutoh, Yoichi Kobayashi, Yasukazu Hirao, Takashi Kubo and Jiro Abe
    • Journal Title

      Chemical Communications

      Volume: 印刷中 Issue: 41 Pages: 6797-6800

    • DOI

      10.1039/c6cc01534d

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis, Structure and Properties of Thiophene and Bithiophene Derivatives Incorporated Quinone Methides as Possible: New Overcrowded Extended Quinonoid π-Systems2016

    • Author(s)
      H. Kurata, T. Inoue, T. Suzuki, Y. Hirao, K. Matsumoto, T. Kubo
    • Journal Title

      Synlett

      Volume: 27 Issue: 14 Pages: 2133-2139

    • DOI

      10.1055/s-0035-1561475

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-planar butterfly-shaped π-expanded pyrrolopyrroles2016

    • Author(s)
      M. Krzeszewski, T. Kodama, E. M. Espinoza, V. I. Vullev, T. Kubo, D. T. Gryko
    • Journal Title

      Chem. Eur. J.

      Volume: 22 Issue: 46 Pages: 16478-16488

    • DOI

      10.1002/chem.201603282

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Recent Advances in the Chemistry of Phenalenyl2016

    • Author(s)
      K. Uchida, T. Kubo
    • Journal Title

      Journal of Synthetic Organic Chemistry, Japan

      Volume: 74 Issue: 11 Pages: 1069-1077

    • DOI

      10.5059/yukigoseikyokaishi.74.1069

    • NAID

      130005433326

    • ISSN
      0037-9980, 1883-6526
    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Diradical Character Tuning for the Third-Order Nonlinear Optical Properties of Quinoidal Oligothiophenes by Introducing Thiophene-S,S-Dioxide Rings2016

    • Author(s)
      R. Kishi, S. Ochi, S. Izumi, A. Makino, T. Nagami, Jun-ya Fujiyoshi, N. Matsushita, M. Saito, M. Nakano
    • Journal Title

      Chem. Eur. J.

      Volume: 22 Issue: 4 Pages: 1493-1500

    • DOI

      10.1002/chem.201503705

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Third-Order Nonlinear Optical Properties of Asymmetric Non-Alternant Open-Shell Condensed-Ring Hydrocarbons: Effects of Diradical Character, Asymmetricity, and Exchange Interaction2016

    • Author(s)
      M. Nakano, K. Fukuda, B. Champagne
    • Journal Title

      J. Phys. Chem. C

      Volume: 120 Issue: 2 Pages: 1193-1207

    • DOI

      10.1021/acs.jpcc.5b10503

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A puckered singlet cyclopentane-1,3-diyl - Detection of the third isomer in homolysis2016

    • Author(s)
      Jianhuai Ye, Sayaka Hatano, Manabu Abe,* Ryohei Kishi, Yusuke Murata, Masayoshi Nakano, Waldemar Adam
    • Journal Title

      Chem.-Eur. J.

      Volume: 22 Issue: 7 Pages: 2299-2306

    • DOI

      10.1002/chem.201503975

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Open-Shell Singlet Nature and σ-/π-Conjugation Effects on the Third-Order Nonlinear Optical Properties of Si Chains: Polysilane and Poly(disilene-1,2-diyl)2016

    • Author(s)
      H. Matsui, K. Fukuda, S. Ito, T. Nagami, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 120 Issue: 6 Pages: 948-955

    • DOI

      10.1021/acs.jpca.5b11895

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Challenging Compounds for Calculating Molecular Second Hyperpolarizabilities: the Triplet State of the Trimethylenemethane Diradical and Two Derivatives2016

    • Author(s)
      M. Wergifosse, B. Champagne, S. Ito, K. Fukuda, M. Nakano
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Issue: 9 Pages: 6420-6429

    • DOI

      10.1039/c5cp06547j

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Nonlinear Optical Properties in Open-Shell Molecular Systems2016

    • Author(s)
      M. Nakano, B. Champagne
    • Journal Title

      WIREs Comput. Mol. Sci. (Over view/Front Cover)

      Volume: 6 Issue: 2 Pages: 198-210

    • DOI

      10.1002/wcms.1242

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Biphenalenylidene: Isolation and Characterization of the Reactive Intermediate on the Decomposition Pathway of Phenalenyl Radical2016

    • Author(s)
      K. Uchida, S. Ito, M. Nakano,* M. Abe,* and T. Kubo
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 138 Issue: 7 Pages: 2399-2410

    • DOI

      10.1021/jacs.5b13033

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Fluxional σ-Bonds of the 2,5,8-Trimethylphenalenyl Dimer: Direct Observation of the Sixfold σ-Bond Shift via a π-Dimer2016

    • Author(s)
      K. Uchida, Z. Mou, M. Kertesz, T. Kubo
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 138 Issue: 13 Pages: 4665-4672

    • DOI

      10.1021/jacs.6b01791

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Intramolecular Interaction, Photoisomerization, and Mechanical C-C Bond Dissociation of 1,2-di(9-anthryl)benzene and Its Photoisomer: A Fundamental Moiety of Anthracene-Based pi-Cluster Molecules2016

    • Author(s)
      T. Nishiuchi, S. Uno, Y. Hirao, T. Kubo
    • Journal Title

      J. Org. Chem.

      Volume: 81 Issue: 5 Pages: 2106-2112

    • DOI

      10.1021/acs.joc.6b00134

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Stable Delocalized Singlet Biradical Hydrocarbon for Organic Field-Effect Transistors2016

    • Author(s)
      H. Koike, M. Chikamatsu, R. Azumi, J. Tsutsumi, K. Ogawa, W. Yamane, T. Nishiuchi, T. Kubo, T. Hasegawa, K. Kanai
    • Journal Title

      Adv. Funct. Mater.

      Volume: 26 Issue: 2 Pages: 277-283

    • DOI

      10.1002/adfm.201503650

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Improvement of properties of an ambipolar organic field-effect transistor by using a singlet biradicaloid film2016

    • Author(s)
      Wataru Yamane, Harunobu Koike, Masayuki Chikamatsu, Takashi Kubo, Tomohiko Nishiuchi, Kaname Kanai
    • Journal Title

      J. Appl. Phys.

      Volume: 55 Issue: 1 Pages: 011601-011601

    • DOI

      10.7567/jjap.55.011601

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] A dual theoretical and experimental study on boron β-diketonate complexes with intense two-photon induced fluorescence in solution and in the solid state2016

    • Author(s)
      Lanoë, P.-H.; Mettra, B.; Liao, Y.; Calin, N.; D’Aléo, A.; Namikawa, T.; Kamada, K.; Fages, F.; Monnereau, C.; Andraud, C.
    • Journal Title

      ChemPhysChem

      Volume: - Issue: 14 Pages: 2128-2136

    • DOI

      10.1002/cphc.201600178

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Borondifluoride curcuminoid fluorophores with enhanced two-photon excited fluorescence emission and versatile living-cell imaging properties2016

    • Author(s)
      Kamada, K.; Namikawa, T.; Senatore, S.; Matthews, C.; Lenne, P.-F.; Maury, O.; Andraud, C.; Ponce-Vargas, M.; Le Guennic, B.; Jacquemin, D.; Agbo, P.; An, D. D.; Gauny, S. S.; Liu, X.; Abergel, R. J.; Fages, F.; D’Aléo, A.
    • Journal Title

      Chemistry A European Journal

      Volume: 22 Issue: 15 Pages: 5219-5232

    • DOI

      10.1002/chem.201504903

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Push-Pull Type Oligo(N-annulated Perylene)quinodimethanes: Chain Length and Solvent Dependent Ground States and Physical Properties2015

    • Author(s)
      Z. Zeng, S. Lee, M. Son, K. Fukuda, P. M. Burrezo, X. Zhu, Q. Qi, R.-W. Li, J. T. L. Navarrete, J. Ding,* J. Casado,* M. Nakano,* D. Kim,* J. Wu,
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 137 Issue: 26 Pages: 8572-8583

    • DOI

      10.1021/jacs.5b04156

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Theoretical Design of Open-Shell Singlet Molecular Systems for Nonlinear Optics2015

    • Author(s)
      M. Nakano, B. Champagne
    • Journal Title

      J. Phys. Chem. Lett. (Perspective/Cover article)

      Volume: 6 Issue: 16 Pages: 3236-3256

    • DOI

      10.1021/acs.jpclett.5b00956

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Interplay between Open-Shell Character, Aromaticity and Second Hyperpolarizabilities in Indenofluorenes2015

    • Author(s)
      K. Fukuda, T. Nagami, J. Fujiyoshi, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 119 Issue: 42 Pages: 10620-10627

    • DOI

      10.1021/acs.jpca.5b08520

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical study on the second hyperpolarizabilities of one-dimensional heteronuclear transition-metal-metal bonded systems: Metal alignment effects2015

    • Author(s)
      Shota Takamuku, Yasutaka Kitagawa, Takanori Nagami, Masayoshi Nakano
    • Journal Title

      Chemical Physics Letters

      Volume: 640 Pages: 165-171

    • DOI

      10.1016/j.cplett.2015.10.011

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Density Analysis of Intra- and Inter-Molecular Vibronic Couplings Toward Bath Engineering for Singlet Fission2015

    • Author(s)
      S. Ito, T. Nagami, M. Nakano
    • Journal Title

      J. Phys. Chem. Lett.

      Volume: 6 Issue: 24 Pages: 4972-4977

    • DOI

      10.1021/acs.jpclett.5b02249

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Synthesis, Molecular Structure, and Morphological Properties of Dendritic Tetra-2-Thienylmethane2015

    • Author(s)
      K. Matsumoto, S. Kugo, T. Suzuki, D. Takajo, A. Inaba, Y. Hirao, H. Kurata, T. Kubo
    • Journal Title

      Heterocycles

      Volume: 91 Issue: 12 Pages: 2343-2353

    • DOI

      10.3987/com-15-13337

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hetero-π-Dimers of Phenalenyls2015

    • Author(s)
      Z. Mou, T. Kubo, M. Kertesz
    • Journal Title

      Chem. Eur. J.

      Volume: 21 Issue: 50 Pages: 18230-18236

    • DOI

      10.1002/chem.201503409

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Solvent artifact in nonlinear absorption measurement by the open-aperture Z-scan method2015

    • Author(s)
      Kenji Kamada
    • Journal Title

      Nonlinear Optics, Quantum Optics

      Volume: 46 Pages: 323-330

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Strategy towards large two-photon absorption cross-sections for diketopyrrolopyrroles2015

    • Author(s)
      Purc, A.; Sobczyk, K.; Sakagami, Y.; Ando, A.; Kamada, K.; Gryko, D. T.
    • Journal Title

      Journal of Materials Chemistry C

      Volume: 3 Issue: 4 Pages: 742-749

    • DOI

      10.1039/c4tc02375g

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on the Relationship between Diradical Character and Second Hyperpolarizabilities of Four-Membered-Ring Diradicals Involving Heavy Main-Group Elements2015

    • Author(s)
      H. Matsui, K. Fukuda, S. Takamuku, A. Sekiguchi, M. Nakano
    • Journal Title

      Chem. Eur. J.

      Volume: 21 Issue: 5 Pages: 2157-2164

    • DOI

      10.1002/chem.201404592

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Theoretical Molecular Design of Heteroacenes for Singlet Fission: Tuning the Diradical Character by Modifying π-Conjugation Length and Aromaticity2015

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 119 Issue: 1 Pages: 148-157

    • DOI

      10.1021/jp5103737

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on the Enhancement of the Second Hyperpolarizabilities of Si-, Ge-Disubstituted Quinodimethanes: Synergy Effects of Open-Shell Nature and Intramolecular Charge Transfer2015

    • Author(s)
      K. Fukuda, T. Nozawa, H. Yotsuyanagi, M. Ichinohe, A. Sekiguchi M. Nakano
    • Journal Title

      J. Phys. Chem. C

      Volume: 119 Issue: 2 Pages: 1188-1193

    • DOI

      10.1021/jp511521m

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Tetracyclopenta[def,jkl,pqr,vwx]tetraphenylene: A Potential Tetraradicaloid Hydrocarbon2015

    • Author(s)
      S. Nobusue, H. Miyoshi, A. Shimizu, I. Hisaki, K. Fukuda, M. Nakano, Y. Tobe
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 54 Issue: 7 Pages: 2090-2094

    • DOI

      10.1002/anie.201410791

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Diradical Character and Nonlinear Optical Properties of Buckyferrocenes: Focusing the Use of Suitably Modified Fullerene Fragments2015

    • Author(s)
      M. SHABBIR, S. Ito, M. Nakano, R. Kishi, K. Yoneda, Y. Kitagawa, M. Shkir, A. Irfan, A. R Chaudhry, S. AlFaify, A. Kalam, A. G. Al-Sehemi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 8 Pages: 5805-5816

    • DOI

      10.1039/c4cp05175k

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Approximate Spin Projected Spin-Unrestricted Density Functional Theory Method: Application to Diradical Character Dependences of Second Hyperpolarizabilities2015

    • Author(s)
      Masayoshi Nakano*, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Yasuteru Shigeta, Ryohei Kishi, Benoit Champagne, and Edith Botek
    • Journal Title

      AIP conference proceedings

      Volume: 1642 Pages: 30-34

    • DOI

      10.1063/1.4906627

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relationship between Second Hyperpolarizability and Diradical Character in Open-Shell Singlet Metal-Metal Multiply Bonded Systems2015

    • Author(s)
      Hitoshi Fukui, Edith Botek, Benoit Champagne, Yasuteru Shigeta, and Masayoshi Nakano
    • Journal Title

      AIP Conference Proceedings

      Volume: 1642 Pages: 245-248

    • DOI

      10.1063/1.4906663

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study on Electromagnetically Induced Transparency in Molecular Aggregate Models Using Quantum Liouville Equation Method2015

    • Author(s)
      Takuya Minami, Masayoshi Nakano
    • Journal Title

      AIP Conference Proceedings

      Volume: 1642 Pages: 473-476

    • DOI

      10.1063/1.4906723

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Static Electric Field Effect on Third-Order Nonlinear Optical (NLO) Properties of Singlet Diradical Molecules: Toward the Realization of an Electric Field Induced Open-Shell NLO Switch2015

    • Author(s)
      Masayoshi Nakano, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Yasuteru Shigeta, Benoit Champagne, Edith Botek, Koji Ohta, Kenji Kamada, and Takashi Kubo
    • Journal Title

      AIP conference proceedings

      Volume: 1642 Pages: 477-480

    • DOI

      10.1063/1.4906724

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Molecular Orbital-Configuration Interaction Based Quantum Master Equation (MOQME) Approach to the Dynamic First Hyperpolarizabilities of Asymmetric π-Conjugated Systems2015

    • Author(s)
      Ryohei Kishi, Hitoshi Fujii, Takuya Minami, Yasuteru Shigeta, and Masayoshi Nakano
    • Journal Title

      AIP Conference Proceedings

      Volume: 1642 Pages: 530-534

    • DOI

      10.1063/1.4906735

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical design of solvatochromism switching by photochromic reactions using donor-acceptor disubstituted diarylethene derivatives with oxidized thiophene rings2015

    • Author(s)
      奥野克樹、重田育照、岸亮平、中野雅由
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Issue: 9 Pages: 6484-6494

    • DOI

      10.1039/c4cp05946h

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Diradical character dependence of third-harmonic generation spectra in open-shell singlet systems2015

    • Author(s)
      M. Nakano, B. Champagne
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 134 Issue: 3

    • DOI

      10.1007/s00214-015-1618-6

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Phenalenyl-Based Open-Shell Polycyclic Aromatic Hydrocarbons2015

    • Author(s)
      Takashi Kubo
    • Journal Title

      Chem. Rec.

      Volume: 15 Issue: 1 Pages: 218-232

    • DOI

      10.1002/tcr.201402065

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] A facile synthesis of trinaphtho[3.3.3]propellane and its pi-extension and the formation of a two-dimensional honeycomb molecular assembly2015

    • Author(s)
      Takashi Kubo, Shogo Miyazaki, Takuya Kodama, Mitsuya Aoba, Yasukazu Hirao and Hiroyuki Kurata
    • Journal Title

      Chem. Comm.

      Volume: 51 Issue: 18 Pages: 3801-3803

    • DOI

      10.1039/c4cc09883h

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Isolation of a Hydrogen-Bonded Complex Based on the Anthranol/Anthroxyl Pair: Formation of a Hydrogen-Atom Self-Exchange System2015

    • Author(s)
      Yasukazu Hirao, Tohru Saito, Hiroyuki Kurata, Takashi Kubo
    • Journal Title

      Angew. Chem. Int. Ed

      Volume: 54 Issue: 8 Pages: 2402-2405

    • DOI

      10.1002/anie.201410796

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Efficient Synthesis of Tetra-4-pyridylmethane: Pyrolysis of Tri(4-pyridyl)-4-pyridylazomethane2015

    • Author(s)
      D. Inokuchi, K. Matsumoto, K. Kobayashi, K. Onishi, Y. Hirao, H. Kurata, T. Kubo
    • Journal Title

      Chemistry Letters

      Volume: 44 Issue: 1 Pages: 32-34

    • DOI

      10.1246/cl.140850

    • NAID

      130004699190

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Intramolecular Charge Transfer Effects on the Diradical Character and Second Hyperpolarizabilities of Open-Shell Singlet Donor-π-Donor Systems2014

    • Author(s)
      K. Fukuda and M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 118 Issue: 19 Pages: 3463-3471

    • DOI

      10.1021/jp412634q

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Axial ligand effects on the diradical characters and second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes2014

    • Author(s)
      Taishi Yamada, Shota Takamuku, Hiroshi Matsui, Benoit Champagne, Masayoshi Nakano
    • Journal Title

      Chem. Phys. Lett.

      Volume: 608 Pages: 68-73

    • DOI

      10.1016/j.cplett.2014.05.064

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Third-Order Nonlinear Optical Properties of One-Dimensional Open-Shell Molecular Aggregates Composed of Phenalenyl Radicals2014

    • Author(s)
      K. Yoneda, M. Nakano, K. Fukuda, H. Matsui, S. Takamuku, Y. Hirosaki, T. Kubo, K. Kamada, B. Champagne
    • Journal Title

      Chem. Eur. J

      Volume: 35 Issue: 35 Pages: 11129-11136

    • DOI

      10.1002/chem.201402197

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Open-Shell Character and Second Hyperpolarizabilities of One-Dimensional Chromium(II) Chains: Size Dependence and Bond-Length Alternation Effect2014

    • Author(s)
      H. Fukui, S. Takamuku, T. Yamada, K. Fukuda, T. Takebayashi, T. Shigeta, R. Kishi, B. Champagne, M. Nakano
    • Journal Title

      Inorg. Chem.

      Volume: 53 Issue: 16 Pages: 8700-8707

    • DOI

      10.1021/ic501334p

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical Study on Diradical Characters and Nonlinear Optical Properties of 1,3-Diradical Compounds2014

    • Author(s)
      R. Kishi, Y. Murata, M. Saito, K. Morita, M. Abe, M. Nakano
    • Journal Title

      J. Phys. Chem. A

      Volume: 118 Issue: 45 Pages: 10837-10848

    • DOI

      10.1021/jp508657s

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Recent Progress in Quinoidal Singlet Biradical Molecules2014

    • Author(s)
      Takashi Kubo
    • Journal Title

      Chem. Lett., 44

      Volume: 44 Issue: 2 Pages: 111-122

    • DOI

      10.1246/cl.140997

    • NAID

      130004712951

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Evidence of σ- and π-Dimerization in a Series of Phenalenyls2014

    • Author(s)
      Zhongyu Mou, Kazuyuki Uchida, Takashi Kubo, and Miklos Kertesz
    • Journal Title

      Journal of the American Chemical Society

      Volume: 136 Issue: 52 Pages: 18009-18022

    • DOI

      10.1021/ja509243p

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis of Sexithiophene-Bridged Cage Compound: A New Class of Three-Dimensionally Expanded Oligothiophenes2014

    • Author(s)
      K. Adachi, Y. Hirao, K. Matsumoto, T. Kubo, H. Kurata
    • Journal Title

      Organic Letters

      Volume: 16 Issue: 22 Pages: 5870-5873

    • DOI

      10.1021/ol5027816

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Design and Synthesis of New Stable Fluorenyl-Based Radicals2014

    • Author(s)
      Yi Tian, Kazuyuki Uchida, Hiroyuki Kurata, Yasukazu Hirao, Tomohiko Nishiuchi, and Takashi Kubo
    • Journal Title

      Journal of the American Chemical Society

      Volume: 136 Issue: 36 Pages: 12784-12793

    • DOI

      10.1021/ja507005c

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Voltammetric and in situ frequency modulation atomic force microscopic investigation of phenalenyl derivatives adsorbed on graphite surfaces2014

    • Author(s)
      Toru Utsunomiya, Yasuyuki Yokota, Toshiaki Enoki, Yasukazu Hirao, Takashi Kubo, Ken-ichi Fukui
    • Journal Title

      Carbon

      Volume: 77 Pages: 184-190

    • DOI

      10.1016/j.carbon.2014.05.020

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Dual Association Modes of the 2,5,8-Tris(pentafluorophenyl)phenalenyl Radical2014

    • Author(s)
      Kazuyuki Uchida, Yasukazu Hirao, Hiroyuki Kurata, Takashi Kubo, Sayaka Hatano, and Katsuya Inoue
    • Journal Title

      Chemistry An Asian Journal

      Volume: 9 Issue: 7 Pages: 1823-1829

    • DOI

      10.1002/asia.201402187

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Plasmonic bipyramids for fluorescence enhancement and protection against photobleaching2014

    • Author(s)
      Navarro, J. R.; Lerouge, F.; Micouin, G.; Cepraga, C.; Favier, A.; Charreyre, M.-T.; Blanchard, N. P.; Lermé, J.; Chaput, F.; Focsan, M.; Kamada, K.; Baldeck, P. L.; Parola, S.
    • Journal Title

      Nanoscale

      Volume: 6 Issue: 10 Pages: 5138-5145

    • DOI

      10.1039/c3nr06425e

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anthenes: model systems for understanding the edge state of graphene nanoribbons2014

    • Author(s)
      Konishi, A.; Hirao, Y.; Kurata, H.; Kubo, T.; Nakano, M.; Kamada, K.
    • Journal Title

      Pure Appl. Chem.

      Volume: 86 Issue: 4 Pages: 497-505

    • DOI

      10.1515/pac-2013-0811

    • Related Report
      2014 Annual Research Report 2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photostability and One- and Two-Photon Absorption Properties of 9,10-Bis(arylethynyl)anthracene Derivatives in a Self-Assembled Boronic Ester Cavitand Capsule2014

    • Author(s)
      Y. Hirumi, K. Tamaki, T. Namikawa, K. Kamada, M. Mitsui, K. Suzuki, K. Kobayashi
    • Journal Title

      Chemistry An Asian Journal

      Volume: 9 Issue: 5 Pages: 1282-1290

    • DOI

      10.1002/asia.201400042

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Natural Orbital Functional Calculations of Molecular Polarizabilities and Second Hyperpolarizabilities. The Hydrogen Molecule as a Test Case2014

    • Author(s)
      X. Lopez, M. Piris, M. Nakano, B. Champagne
    • Journal Title

      J. Phys. B: At. Mol. Opt. Phys.

      Volume: 47 Issue: 1 Pages: 015101-015101

    • DOI

      10.1088/0953-4075/47/1/015101

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Open-Shell Characters and Second Hyperpolarizabilities for Hexagonal Graphene Nanoflakes Includinst Boron Nitride Domains2014

    • Author(s)
      K. Yoneda, H. Matsui, K. Fukuda, S. Takamuku, R. Kishi, M. Nakano
    • Journal Title

      Chem. Phys. Lett.

      Volume: 595-596 Pages: 220-225

    • DOI

      10.1016/j.cplett.2014.02.010

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A density functional study on pK_a, of small polyprotic molecules2014

    • Author(s)
      Takeshi Baba, Toru Matsui, Katsumasa Kamiya, Masayoshi Nakano, and Yasuteru Shigeta
    • Journal Title

      Int. J. Quantum Chem

      Volume: (印刷中) Issue: 17 Pages: 1128-1134

    • DOI

      10.1002/qua.24631

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photostability and one- and two-photon absorption properties of 9,10-bis(arylethynyl)anthracene derivatives in a self-sssembled boronic ester cavitand capsule2014

    • Author(s)
      Yohei Hirumi, Kento Tamaki, Tomotaka Namikawa, Kenji Kamada, Masaaki Mitsui, Kengo Suzuki, and Kenji Kobayashi
    • Journal Title

      Chemistry An Asian Journal

      Volume: in press

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and Characterization of Nickel Complex of 4-Amino-3- pyridinethiolate2014

    • Author(s)
      Kouzou Matsumoto, Maho Nishizawa, Yasukazu Hirao, Hiroyuki Kurata, Takashi Kubo
    • Journal Title

      Heterocycles

      Volume: 87 Issue: 1 Pages: 175-178

    • DOI

      10.3987/com-13-s(s)2

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] グラフェンナノリボンを指向したアンテン類の合成と磁気的性質2014

    • Author(s)
      久保孝史
    • Journal Title

      化学工業

      Volume: 2 Pages: 105-110

    • Related Report
      2013 Annual Research Report
  • [Journal Article] Dual association modes of 2,5,8-tris(pentafluorophenyl)phenalenyl radical2014

    • Author(s)
      Kazuyuki Uchida, Yasukazu Hirao, Hiroyuki Kurata, Takashi Kubo, S. Hatano, K. Inoue
    • Journal Title

      Chem. Asian J.

      Volume: in press

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Indeno[2,1-b]fluorene: A 20 pi electron hydrocarbon with extremely low energy light absorption2013

    • Author(s)
      A. Shimizu, R. Kishi, M. Nakano, D. Shiomi, K. Sato, T. Takui, I. Hisaki, M. Miyata, and Y. Tobe
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: 52 Issue: 23 Pages: 6076-6079

    • DOI

      10.1002/anie.201302091

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Equatorial ligand effects on the diradical character dependence of the second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes2013

    • Author(s)
      Y. Inoue, T. Yamada, B. Champagne, M. Nakano
    • Journal Title

      Chem. Phys. Lett.

      Volume: 570 Pages: 75-79

    • DOI

      10.1016/j.cplett.2013.03.030

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Challenging Compounds for Calculating Hyperpolarizabilities: p-Quinodimethane Derivatives2013

    • Author(s)
      M. de Wergifosse, F. Wautelet, B. Champagne, R. Kishi, K. Fukuda, H. Matsui, M. Nakano
    • Journal Title

      J. Phys. Chem. A.

      Volume: 117 Issue: 22 Pages: 4709-4715

    • DOI

      10.1021/jp403163z

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fundamental of Diradical-Character-Based Molecular Design for Singlet Fission2013

    • Author(s)
      T. Minami, S. Ito, M. Nakano
    • Journal Title

      J. Phys. Chem. Lett.

      Volume: 4 Issue: 13 Pages: 2133-2137

    • DOI

      10.1021/jz400931b

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on the diradical characters and third-order nonlinear optical properties of transition-metal heterodinuclear systems2013

    • Author(s)
      T. Yamada, Y. Inoue, B. Champagne, M. Nakano
    • Journal Title

      Chem. Phys. Lett.

      Volume: 579 Pages: 73-77

    • DOI

      10.1016/j.cplett.2013.05.072

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Diradical character dependences of the first and second hyperpolarizabilities of asymmetric open-shell singlet systems2013

    • Author(s)
      M. Nakano, B. Champagne
    • Journal Title

      J. Chem. Phys

      Volume: 138 Issue: 24

    • DOI

      10.1063/1.4810860

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photochromic Switching of Diradical Character : Design of Efficient Nonlinear Optical Switches2013

    • Author(s)
      奥野克樹、重田育照、岸亮平、中野雅由
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 4 Issue: 15 Pages: 2418-2422

    • DOI

      10.1021/jz401228c

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] New Type of Organic-Inorganic Hybrid NLO-Phores with Large Off-Diagonal First Hyperpolarizability Tensors : A Two-Dimensional Approach2013

    • Author(s)
      Muhammad Shabbir, Hongliang Xu, Zhong-Min Su, Kotaro Fukuda, Ryohei Kishi, Yasuteru Shigeta and Masayoshi Nakano
    • Journal Title

      Dalton Trans.

      Volume: 42 Issue: 42 Pages: 15053-15062

    • DOI

      10.1039/c3dt51331a

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Finite-field method with unbiased polarizable continuum model for evaluation of the second hyperpolarizability of an open-shell singlet molecule in solvents2013

    • Author(s)
      乾 智也、重田育照、奥野克樹、馬場剛史、岸 亮平、中野雅由
    • Journal Title

      Journal of Compulational Chemistry

      Volume: 34 Issue: 27 Pages: 2345-2352

    • DOI

      10.1002/jcc.23395

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on the diradical characters and third-order nonlinear optical properties of cyclic thiazyl diradical compounds2013

    • Author(s)
      H. Matsui, K. Fukuda, Y. Hirosaki, S. Takamuku, B. Champagne, M. Nakano
    • Journal Title

      Chem. Phys. Lett.

      Volume: 585 Pages: 112-116

    • DOI

      10.1016/j.cplett.2013.08.087

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives2013

    • Author(s)
      奥野克樹、重田育照、岸 亮平、中野雅由
    • Journal Title

      Chemical Physics Letters

      Volume: 585 Pages: 201-206

    • DOI

      10.1016/j.cplett.2013.09.013

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study on the Electronic Structure and Third-Order Nonlinear Optical Properties of Open-Shell Quinoidal Oligothiophenes2013

    • Author(s)
      R. Kishi, M. Dennis, K. Fukuda, Y. Murata, K. Morita, H. Uenaka, and M. Nakano
    • Journal Title

      J. Phys. Chem. C.

      Volume: 117 Issue: 41 Pages: 21498-21508

    • DOI

      10.1021/jp407482h

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 特集「化学工学に展開する量子化学計算」 量子化学工学における光機能性物質設計2013

    • Author(s)
      中野雅由, 重田育照, 岸亮平
    • Journal Title

      化学工学会誌

      Volume: 77(6) Pages: 406-409

    • Related Report
      2013 Annual Research Report
  • [Journal Article] Influence of the metal ion on the two-photon sbsorption properties of lanthanide complexes including near-IR emitters2013

    • Author(s)
      Adrien Bourdolle, Mustapha Allali, Anthony D’Aleo, Patrice L. Baldeck, Kenji Kamada, J. A. Gareth Williams, Hubert Le Bozec, Chantal Andraud, and Olivier Maury
    • Journal Title

      ChemPhysChem

      Volume: 14 Issue: 14 Pages: 3361-3367

    • DOI

      10.1002/cphc.201300501

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and photophysical properties of a porphyrin-perinaphthothioindigo dye2013

    • Author(s)
      Kazuya Ogawa, Joanne Dy, Rena Maeda, Yasunori Nagatsuka, Kenji Kamada, and Yoshiaki Kobuke
    • Journal Title

      Journal of Porphyrins and Phthalocyanines

      Volume: 17 Issue: 08n09 Pages: 821-830

    • DOI

      10.1142/s1088424613500521

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Direct observation of energy band development in a one-dimensional biradical molecular chain by ultraviolet photoemission spectroscopy2013

    • Author(s)
      H. Koike
    • Journal Title

      Applied Physics Letters

      Volume: 102 Issue: 13

    • DOI

      10.1063/1.4799493

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Facile Synthesis and Lateral π-Expansion of Bisanthenes.2013

    • Author(s)
      Konishi, A.; Hirao, Y.; Matsumoto, K.; Kurata, H.; Kubo, T.
    • Journal Title

      Chem. Lett.

      Volume: 42 Issue: 6 Pages: 592-594

    • DOI

      10.1246/cl.130153

    • NAID

      10031176018

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electron transfer of phenalenyl derivative molecules adsorbed at the graphite electrode/aqueous solution interface2013

    • Author(s)
      Toru Utsunomiya, Yasuyuki Yokota, Toshiaki Enoki, Yasukazu Hirao, Takashi Kubo, Ken-ichi Fukui
    • Journal Title

      Carbon

      Volume: 63 Pages: 196-201

    • DOI

      10.1016/j.carbon.2013.06.071

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Investigating the edge state of graphene nanoribbons by a chemical approach: Synthesis and magnetic properties of zigzag-edged nanographene molecules2013

    • Author(s)
      Konishi, A.; Hirao, Y.; Kurata, H.; Kubo, T.
    • Journal Title

      Solid State Commun.

      Volume: 175-176 Pages: 62-70

    • DOI

      10.1016/j.ssc.2013.07.005

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Presentation] 中間相関のラジカル電子対をもつ分子系の光物性:非線形光学効果と一重項分裂2018

    • Author(s)
      岸 亮平
    • Organizer
      大阪大学 量子情報・量子生命ネットワーク キックオフミーティング
    • Related Report
      2017 Annual Research Report
  • [Presentation] Pyridinium N-phenoxide betaineの 開殻性と非線形光学特性の理論研究2018

    • Author(s)
      渡部 晃希・北野 将実・山根 正暉・當波 考凱・清水 章弘・吉田 潤一・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] キノピリジン誘導体の開殻性、電荷移動性、非線形光学物性の相関に関する理論研究2018

    • Author(s)
      北野 奨実・當波 孝凱・山根 正暉・岸 亮平・平尾 泰一・久保 孝史・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻性が拓く新奇光物性:理論と実験の協同アプローチ(1)2018

    • Author(s)
      久保 孝史・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻性が拓く新奇光物性:理論と実験の協同アプローチ(2)2018

    • Author(s)
      久保 孝史・○中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻分子からなる共有結合性有機構造体の部分構造の非線形光学特性についての理論研究2018

    • Author(s)
      岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Relationship between open-shell singlet nature and second hyperpolarizability in rectangular-shaped tetraradical model systems2018

    • Author(s)
      MATSUI, Hiroshi; YAMANE, Masaki; TONAMI, Takayoshi; NAKANO, Masayoshi
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Theoretical study of the energy perturbation effects on singlet fission dynamics2018

    • Author(s)
      ITO, Soichi; NAGAMI, Takanori; WATANABE, Kenichiro; NAKANO, Masayoshi
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] ジカチオンジラジカルモデルにおける三次非線形光学物性に関する理論研究2018

    • Author(s)
      吉田 航・米田 京平・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] スマネン縮合アセン二量体のシングレットフィッションにおける電子的相互作用に関する理論研究2018

    • Author(s)
      渡邊 健一郎・永海 貴識・當波 孝凱・伊藤 聡一・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] テリレン分子系のシングレットフィッションにおける振電相互作用に関する理論研究2018

    • Author(s)
      永海 貴識・伊藤 聡一・當波 孝凱・山根 正暉・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] ペンタセン二量体における第二超分極率γのスピン状態及び分子配向依存性に関する理論研究2018

    • Author(s)
      當波 孝凱・永海 貴識・山根 正暉・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 強い反芳香族性とジラジカル性を示すベンゾノルコロールの合成2018

    • Author(s)
      吉田 拓矢・高橋 功太郎・井出 雄紀・岸 亮平・藤吉 純也・LEE Sangsu・平岡 勇哉・KIM Dongho・中野 雅由・池上 崇久・山田 容子・忍久保 洋
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Theoretical Study on Molecular Actuator Properties in Helical Open-Shell Molecules2018

    • Author(s)
      TAKAMUKU, Shota; NAKANO, Masayoshi; KERTESZ, Miklos
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 部分酸化グラフェンシートにおける開殻性と三次非線形光学物性に関する理論研究2018

    • Author(s)
      米田 京平・吉田 航・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] カーボンナノベルト系の開殻性と非線形光学物性に関する理論研究2018

    • Author(s)
      山根 正暉・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 一次元開殻縮環共役系へのシクロオクタテトラセン導入による三次非線形光学物性の制御2018

    • Author(s)
      西垣 佑亮・高椋 章太・山根 将暉・當波 孝凱・岸 亮平・中野 雅由
    • Organizer
      日本化学会第98春季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Pyridinium N-phenoxide betaineとその誘導体の開殻性と非線形光学特性の理論研究2018

    • Author(s)
      渡部 晃希、北野 奨実、山根 正暉、當波 孝凱、清水 章弘、吉田 潤一、岸 亮平、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] シクロオクタテトラエンを導入した一次元共役縮環系の構造と電子状態の理論研究2018

    • Author(s)
      西垣 佑亮、高椋 章太、山根 将暉、當波 孝凱、岸 亮平、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] Push-pull-biphenyl (PPB) の開殻性及び電荷移動性のねじれ角依存性に関する理論研究2018

    • Author(s)
      北野 奨実、山根 正暉、當波 孝凱、岸 亮平、平尾 泰一、久保 孝史、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] ペンタセン二量体における三次非線形光学特性のスピン状態及び分子配向依存性についての理論研究2018

    • Author(s)
      當波 孝凱、永海 貴識、山根 正暉、岸 亮平、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] スマネン縮合アセンのシングレットフィッションについての理論研究2018

    • Author(s)
      渡邊 健一郎 1・永海 貴識 1・當波 孝凱 1・伊藤 聡一 2・中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 螺旋骨格を有する開殻分子の非線形光学物性および分子アクチュエーター機能2018

    • Author(s)
      高椋 章太、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] テリレンのシングレットフィッションにおける分子間相互作用に関する理論研究2018

    • Author(s)
      永海 貴識、伊藤 聡一、久保 孝史、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 2Fe-2S ferredoxin活性中心の電子状態と水素結合に関する理論研究2018

    • Author(s)
      江良 伊織、名取 圭紀、寺本 玲奈、青木 笙悟、多田 隼人、北河 康隆、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] ナノベルト系の一重項開殻性と第二超分極率の理論研究2018

    • Author(s)
      山根 正暉、岸 亮平、中野 雅由
    • Organizer
      第15回京都大学福井謙一記念研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] Theoretical study on the effect of applying external static electric field on nonlinear optical properties of π-stacking radical multimers2017

    • Author(s)
      MATSUI, Hiroshi; WATANABE, Koki; NAGAMI, Takanori; TAKAMUKU, Shota; KITAGAWA, Yasutaka; NAKANO, Masayoshi
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 炭素架橋オリゴパラフェニレンビニレン(COPV)の開殻性と三次非線形光学物性の理論研究2017

    • Author(s)
      西垣 佑亮・松井 啓史・辻 勇人・中野 雅由
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 芳香族/反芳香族ポルフィリンの開殻性と第二超分極率についての理論研究2017

    • Author(s)
      藤吉 純也・福田 幸太郎・永海 貴識・吉田 拓矢・忍久保 洋・北河 康隆・中野 雅由
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] Theoretical Study on Singlet Fission in Pancake-Bonded Phenalenyl Radical Aggregates2017

    • Author(s)
      ITO, Soichi; NAGAMI, Takanori; KUBO, Takashi; NAKANO, Masayoshi
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 酸化グラフェン上の未酸化領域における電子状態と三次非線形光学物性に関する理論研究2017

    • Author(s)
      米田 京平・松井 啓史・永海 貴識・高椋 章太・北河 康隆・中野 雅由
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] Through-Space Interactions between Radical Electrons in Helical Molecules2017

    • Author(s)
      TAKAMUKU, Shota; NAKANO, Masayoshi; KERTESZ, Miklos
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 9-(9-アンスリル)-フルオレニルラジカルの合成と反応性2017

    • Author(s)
      高田 彩・西内智彦・平尾泰一・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] アクリジン・アンスラノールカップリング体を用いた光誘起複合反応系の構築2017

    • Author(s)
      長町 伸宏・平尾泰一・西内智彦・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 一重項分裂特性の発現を目指したクムレン骨格を基盤とする分子の合成と光物性2017

    • Author(s)
      伊原 敬治・平尾泰一・西内智彦・石橋千英・朝日 剛・鎌田賢司・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 新規一重項ビラジカル種「シグマレン」の合成と結晶化、反応性に関する研究2017

    • Author(s)
      佐原 慶亮・西内智彦・平尾泰一・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 複数の水素結合部位を有する新規1-デアザプリン誘導体の合成と集積化2017

    • Author(s)
      妹尾 詩織・平尾泰一・西内智彦・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] 対面構造におけるジヒドロピリジン/ピリジニウムカチオン間の相互作用に関する研究2017

    • Author(s)
      寺岡満・平尾泰一・西内智彦・久保孝史
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] Elucidation of the Through-Space Spin Delocalization Mode of Phenalenyl-Fused [3.3.3]Propellane2017

    • Author(s)
      Takuya KODAMA, Yasukazu HIRAO, Tomohiko, ISHIUCHI, Takashi KUBO
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
  • [Presentation] Third-order nonlinear optical properties in alkali metal inverse sandwich complexes2017

    • Author(s)
      Shota Takamuku, Yasutaka Kitagawa, Hiroshi Matsui, Masayoshi Nakano
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      Holiday Inn Macao Cotai Central(Macau, China)
    • Year and Date
      2017-01-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Effect of static electric field application on nonlinear optical properties of 1,2,3,5-dithiadiazolyl π-radical aggregates2017

    • Author(s)
      Hiroshi Matsui, Naoyuki Matsushita, Takanori Nagami, Masayoshi Nakano
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      Holiday Inn Macao Cotai Central(Macau, China)
    • Year and Date
      2017-01-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Vibronic coupling density analysis in terrylene toward efficient singlet fission2017

    • Author(s)
      Takanori Nagami, Soichi Ito, Takashi Kubo, Masayoshi Nakano
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      Holiday Inn Macao Cotai Central(Macau, China)
    • Year and Date
      2017-01-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Design of Open-Shell Nonlinear Optical Molecular Systems2017

    • Author(s)
      Masayoshi Nakano, Ryohei Kishi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Shota Takamuku, Takanori Nagami, Yuka Minamida, Naoyuki Matsushita, Jun-ya Fujiyoshi, Kyohei Yoneda, Yasutaka Kitagawa, Marc de Wergifosse, Benoit Champagne
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      Holiday Inn Macao Cotai Central(Macau, China)
    • Year and Date
      2017-01-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Quantum Master Equation Approach to Singlet Fission Dynamics in Molecular Aggregates2017

    • Author(s)
      Masayoshi Nakano, Takanori Nagami, Soich Ito, Kenichiro Watanabe, Masaki Yamane, Ryohei Kishi, Yasutaka Kitagawa, Takashi Kubo
    • Organizer
      11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Nonlinear Optical Properties in Chiral Open-Shell Singlet Systems2017

    • Author(s)
      S. Takamuku, M. Nakano
    • Organizer
      HKU-Osaka University Joint Symposium on Materials Research (香港大学との合同シンポジウム)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Singlet Fission Dynamics in Molecular Aggregates2017

    • Author(s)
      Masayoshi Nakano, Takanori Nagami, Kenichiro Watanabe
    • Organizer
      Asia pacific conference in theoretical and computational chemistry (APCTCC 8)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Nonlinear Optical Properties in Helical Molecules with Pancake Bonding2017

    • Author(s)
      Shota Takamuku, Masayoshi Nakano
    • Organizer
      11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Evaluation of aromaticity based on magnetically induced current using the GIMIC method for open-shell molecules2017

    • Author(s)
      Takanori Nagami, Jun-ya Fujiyoshi, Kenichiro Watanabe, Masaki Yamane, Ryohei Kishi, Masayoshi Nakano, Benoit Champagne, Vincent Liegeois
    • Organizer
      11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relationship between Open-Shell Character and Third-Order Nonlinear Optical Properties in Rectangular-Shaped Tetraradical Model Systems2017

    • Author(s)
      Hiroshi Matsui, Shota Takamuku, Ryohei Kishi, Benoit Champagne, Masayoshi Nakano
    • Organizer
      11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Intermolecular packing design for efficient singlet fission in terrylene dimer2017

    • Author(s)
      Takanori Nagami, Soichi Ito, Takashi Kubo, Masayoshi Nakano
    • Organizer
      Asia pacific conference in theoretical and computational chemistry (APCTCC 8)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 二重架橋型色素二量体における架橋間量子干渉効果を活用したシングレットフィッションおよび三重項ー三重項消滅の分子設計2017

    • Author(s)
      伊藤 聡一 (阪大院基礎工), 永海 貴識 (阪大院基礎工)、中野 雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] テリレンのシングレットフィッションにおける分子間配置の理論設計2017

    • Author(s)
      永海 貴識(阪大院基礎工)、伊藤 聡一(阪大院基礎工)、久保 孝史(阪大院理)、中野雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻一重項分子系のジラジカル性およびイオン性因子について2017

    • Author(s)
      中野 雅由,福田 幸太郎,伊藤 聡一,松井 啓史,永海 貴識,高椋 章太,西垣 佑亮,渡部 晃希
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] πラジカル多量体の非線形光学物性への静電場印加効果2017

    • Author(s)
      松井 啓史,渡部 晃希,中野 雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 反芳香族ポルフィリンおよびその二量体の開殻性と三次非線形光学特性に関する理論研究2017

    • Author(s)
      藤吉 純也,永海 貴識,松井 啓史,高椋 章太,西垣 佑亮,渡部 晃希,岸 亮平,中野 雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 環状チアジルラジカル二量体の第二超分極率と励起特性に対する電場印加効果の理論研究2017

    • Author(s)
      渡部 晃希,松井 啓史,伊藤 聡一,岸 亮平,中野 雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 炭素架橋オリゴパラフェニレンビニレン類縁体の三次非線形光学物性についての理論研究2017

    • Author(s)
      西垣 佑亮,松井 啓史,高椋 章太,岸 亮平(阪大院基礎工),辻 勇人(神奈川大理) ,中野 雅由
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 外部電場印加及び構造変化による開殻性の制御に基づく新規非線形光学分子系の理論設計2017

    • Author(s)
      中野雅由
    • Organizer
      新学術領域「π造形科学」第四回領域全体会議
    • Related Report
      2017 Annual Research Report
  • [Presentation] テトラシクロペンタテロラフェニレン誘導体の結晶中における構造2017

    • Author(s)
      戸部 義人、三好 宏和、黒木 裕亮、中野 雅由、岸 亮平、藤吉 純也、永海 貴識、久木 一朗
    • Organizer
      第28回 基礎有機化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 1次元πラジカル多量体の非線形光学物性に対する静電場印加効果2017

    • Author(s)
      松井啓史,渡部晃希,永海貴識,山根正暉,岸亮平,中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] らせん分子系における分子内パンケーキ結合の開殻性と 非線形光学特性についての理論的研究2017

    • Author(s)
      高椋章太, 中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] GIMIC法による磁場誘導電流の量子化学計算に基づいた 開殻分子系での芳香族性の評価2017

    • Author(s)
      永海貴識,Liegeois Vincent,Champagne Benoit, 藤吉純也, 山根正暉, 中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Pyridinium N-Phenoxide Betaine の開殻性・非対称性と非線形光学特性の理論研究2017

    • Author(s)
      渡部晃希, 松井啓史,岸亮平, 清水章弘, 吉田潤一, 中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 芳香族/反芳香族ポルフィリン二量体の開殻性と 第二超分極率に関する理論研究2017

    • Author(s)
      藤吉純也,永海貴識,松井啓史,岸亮平,中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] シクロパラフェニレンの二光子吸収特性と励起状態の構造緩和の理論研究2017

    • Author(s)
      西垣佑亮, 岸亮平, 松井啓史, 永海貴識, 山根正暉, 茅原栄一, 山子茂, 中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 量子マスター方程式アプローチによる分子集合系のシングレット フィッションダイナミクスの理論研究2017

    • Author(s)
      中野雅由, 永海貴識, 渡邊健一郎, 山根正暉, 伊藤聡一, 岸亮平, 久保孝史
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 一次元マルチラジカル水素鎖モデルの 三次非線形光学物性に対する荷電効果に関する理論研究2017

    • Author(s)
      吉田航, 米田京平, 松井啓史, 永海貴識, 岸亮平, 中野雅由
    • Organizer
      第11回分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 拡張ハバードモデルを用いたジラジカル分子二量体の一重項開殻性と三次非線形光学物性の相関についての理論研究2017

    • Author(s)
      松井 啓史、中野 雅由
    • Organizer
      π造形科学 第4回公開シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻一重項π共役分子の芳香族性についての理論研究2017

    • Author(s)
      永海 貴識、渡邊 健一郎、山根 正暉、岸 亮平、中野 雅由
    • Organizer
      π造形科学 第4回公開シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] キラル開殻分子系の非線形光学特性および分子アクチュエーター特性の研究2017

    • Author(s)
      高椋章太, 中野雅由
    • Organizer
      第7回量子化学スクール ~基礎理論と高精度理論の発展~
    • Related Report
      2017 Annual Research Report
  • [Presentation] 開殻一重項分子系での磁場誘導電流に基づく芳香族性に関する理論研究2017

    • Author(s)
      永海貴識、Vincent Liegeois, Benoit Champagne, 中野雅由
    • Organizer
      第7回量子化学スクール ~基礎理論と高精度理論の発展~
    • Related Report
      2017 Annual Research Report
  • [Presentation] 一重項開殻性をもつ分子系の芳香族性について2017

    • Author(s)
      中野雅由
    • Organizer
      東海コンファレンス「- 相原理論40周年・芳香族科学の最前線 -」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Photon upconversion in crystalline solids at sunlight level excitation2017

    • Author(s)
      1.Yusuke Sakagami, Aizitiaili Abulikemu, Toshiko Mizokuro, Kenji Kamada
    • Organizer
      4th International Workshop on Nano and Bio-Photonics (IWNBP2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Triplet-triplet annihilation upconversion in binary solids fabricated by solution casting2017

    • Author(s)
      2.Kenji Kamada, Yusuke Sakagami, Aizitiaili Abulikemu, Toshiko Misokuro, Hirokazu Osawa, Yutaka Fujisawa, Kenji Kobayashi, Kaishi Narushima, Shuzo Hirata Vacha Martin
    • Organizer
      28th International Conference on Photochemistry (ICP2017)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 炭素架橋オリゴパラフェニレンビニレン(COPV)の三次非線形光学物性の理論研究2017

    • Author(s)
      西垣 佑亮、松井 啓史、辻 勇人、中野 雅由
    • Organizer
      第14回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      福井謙一記念研究センター(京都府・京都市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] 開殻性を持つ反芳香族ポルフィリンの光学物性に関する理論研究2017

    • Author(s)
      藤吉 純也、福田 幸太郎、永海 貴識、吉田 拓、忍久保 洋 、中野 雅由
    • Organizer
      第14回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      福井謙一記念研究センター(京都府・京都市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] 一重項分裂特性の発現を目指したクムレン骨格を基盤とする分子 の合成と光物性2017

    • Author(s)
      伊原 敬治, 平尾 泰一, 西内 智彦, 石橋 千英, 朝日 剛, 鎌田 賢司, 久保 孝史
    • Organizer
      日本化学会 第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] IoT時代における10テラバイト光ディスクを目指した超多層ビット記録材料の開発2017

    • Author(s)
      鎌田 賢司, 佐藤 数行, 田中 義人
    • Organizer
      日本化学会 第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] D-π-A 型拡張フルオレン誘導体の三光子誘起固体発光特性2017

    • Author(s)
      水谷瞭太, Yann Bretonniere, Patrice Baldeck, Chantal Andraud, 鎌田 賢司
    • Organizer
      日本化学会 第97春季年会
    • Place of Presentation
      慶應大学 日吉キャンパス(神奈川県・横浜市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] 多段階多光子吸収を用いたナノ秒単発レーザーパルスによるホログラフィックポリマー媒体への記録ピットの形成2017

    • Author(s)
      鎌田 賢司, 佐藤 数行, 田中 義人
    • Organizer
      電子情報通信学会磁気記録・情報ストレージ研究会
    • Place of Presentation
      名古屋大学(愛知県・名古屋市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] Synergetic Study between Computation and Experiment on Two-Photon Absorption of Open-Shell Molecular Species2017

    • Author(s)
      Kenji Kamada
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      Guangzhou Baiyun International Convention Center(広州市・中国)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Quantum Design for Optoelectric Functional Molecular Systems2016

    • Author(s)
      M. Nakano, R. Kishi, K. Fukuda, S. Ito, H. Matsui, S. Takamuku, T. Nagami, Y. Minamida, N. Matsushita, K. Yoneda, Y. Kitagawa
    • Organizer
      Japan-France-Spain Joint-Symposium on Theoretical and Computational Science of Complex Systems
    • Place of Presentation
      Fukui Institute for Fundamental Chemistry, Kyoto University(京都府・京都市)
    • Year and Date
      2016-10-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Second Hyperpolarizability of One-Dimensional π-Conjugated Systems Involving Si=Si Double Bonds2016

    • Author(s)
      H. Matsui, Y. Kitagawa, M. Nakano
    • Organizer
      Japan-France-Spain Joint-Symposium on Theoretical and Computational Science of Complex Systems
    • Place of Presentation
      Fukui Institute for Fundamental Chemistry, Kyoto University(京都府・京都市)
    • Year and Date
      2016-10-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 開殻分子集合系の非線形光学物性に対する静電場印加効果の理論研究2016

    • Author(s)
      中野雅由、松井啓史、松下尚之、福田幸太郎、永海貴識
    • Organizer
      新学術領域「π造形科学」第3回公開シンポジウム
    • Place of Presentation
      東北大学 さくらホール(宮城県・仙台市)
    • Year and Date
      2016-10-20
    • Related Report
      2016 Annual Research Report
  • [Presentation] Si-Si二重結合を含む一次元π共役系の第二超分極率の理論研究2016

    • Author(s)
      松井啓史、松下尚之、福田幸太郎、伊藤聡一、永海貴識、中野雅由
    • Organizer
      新学術領域「π造形科学」第3回公開シンポジウム
    • Place of Presentation
      東北大学 さくらホール(宮城県・仙台市)
    • Year and Date
      2016-10-20
    • Related Report
      2016 Annual Research Report
  • [Presentation] 一次元開殻分子集合系における開殻因子と三次非線形光学物性の理論的研究2016

    • Author(s)
      米田京平、吉田航、松井啓史、松下尚之、永海貴識、中野雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 非対称フェナレニル二量体が持つ第二超分極率の分子間距離依存性に関する理論研究2016

    • Author(s)
      福田 幸太郎、南田 有加、松井 啓史、高椋 章太、永海 貴識、中野 雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 開殻性を持つ架橋型ジフェナレニル化合物の構造-NLO特性相関に関する理論的研究2016

    • Author(s)
      南田 有加、福田 幸太郎、松井 啓史、高椋 章太、永海 貴識、中野 雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] πラジカル二量体の非線形光学物性に対する静電場印加効果の理論研究2016

    • Author(s)
      松井啓史,松下尚之,福田幸太郎,南田有加,永海貴識,中野雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 開殻性を持つシクロパラフェニレンの電子構造と非線形光学特性に関する理論研究2016

    • Author(s)
      松下尚之、松井啓史、高椋章太、永海貴識、岸亮平、茅原栄一、山子茂、中野雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] 芳香族および反芳香族ポルフィリンの開殻性とNLO物性に関する理論的研究2016

    • Author(s)
      藤吉 純也、福田 幸太郎、永海 貴識、吉田 拓矢、忍久保 洋、中野 雅由
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Year and Date
      2016-09-13
    • Related Report
      2016 Annual Research Report
  • [Presentation] プロトン供与性を有するレドックス活性配位子からなる新規鉄錯体の合成と酸化還元挙動2016

    • Author(s)
      平尾 泰一・西内智彦・久保孝史
    • Organizer
      錯体化学会第66回討論会
    • Place of Presentation
      福岡大学(福岡県・福岡市)
    • Year and Date
      2016-09-10
    • Related Report
      2016 Annual Research Report
  • [Presentation] アントラセン骨格を基盤としたπクラスター分子の合成と物性2016

    • Author(s)
      西内 智彦・平尾泰一・久保孝史
    • Organizer
      第27回基礎有機化学討論会
    • Place of Presentation
      広島国際会議場(広島県・広島市)
    • Year and Date
      2016-09-01
    • Related Report
      2016 Annual Research Report
  • [Presentation] Investigation of the dimerization behavior of phenalenyl radicals2016

    • Author(s)
      Takashi Kubo
    • Organizer
      Osaka City University International Conference (OCUIC2016)
    • Place of Presentation
      大阪市立大学(大阪府・大阪市)
    • Year and Date
      2016-08-31
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Study on the Diradical Characters and Nonlinear Optical Properties of Metal - Carbon Bonds2016

    • Author(s)
      Shota Takamuku, Takanori Nagami, Jun-ya Fujiyoshi, Yasutaka Kitagawa, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      27th International Conference of Organometallic Chemsitry (ICOMC2016)
    • Place of Presentation
      Melbourne Convention and Exhibition Centre(Melbourne, Australia)
    • Year and Date
      2016-07-17
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Fullerene Nanoflakes as Curved Open-Shell π-Conjugated NLO Systems2016

    • Author(s)
      Kotaro Fukuda, Jun-ya Fujiyoshi, Takanori Nagami, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      The International Conference on Science and Technology of Synthetic Metals in 2016(ICSM2016)
    • Place of Presentation
      Guangzhou Baiyun International Convention Center(広州市・中国)
    • Year and Date
      2016-06-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Open-Shell Nature and σ-/π-Conjugation Effects on the Third-Order Nonlinear Optical Properties of One-Dimensional Si Chains2016

    • Author(s)
      Hiroshi Matsui, Kotaro Fukuda, Soichi Ito, Takanori Nagami, Masayoshi Nakano
    • Organizer
      The International Conference on Science and Technology of Synthetic Metals in 2016(ICSM2016)
    • Place of Presentation
      Guangzhou Baiyun International Convention Center(広州市・中国)
    • Year and Date
      2016-06-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Open-Shell Organic Nonlinear Optical Systems: From Open-Shell Molecules to Open-Shell Aggregates2016

    • Author(s)
      Masayoshi Nakano, Ryohei Kishi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Shota Takamuku, Takanori Nagami, Yuka Minamida, Jun-ya Fujiyoshi, Kyohei Yoneda, Yasutaka Kitagawa, Benoit Champagne
    • Organizer
      The International Conference on Science and Technology of Synthetic Metals in 2016(ICSM2016)
    • Place of Presentation
      Guangzhou Baiyun International Convention Center(広州市・中国)
    • Year and Date
      2016-06-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Investigation of Spatial Correlation between Open-Shell Singlet Nature and Anisotropy of Induced Current Density of Linear Conjugated Fused-Ring Molecules2016

    • Author(s)
      Jun-ya Fujiyoshi, Kotaro Fukuda, Takanori Nagami, Masayoshi Nakano
    • Organizer
      1st International Symposium on Photosynergetics, Grant-in-Aid for Scientific Research on Innovative Areas (2014-2018), MEXT, Japan
    • Place of Presentation
      Osaka Univ.(大阪府・豊中市)
    • Year and Date
      2016-06-02
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Relationship between Two-Photon Absorption and Open-Shell Character in Phenalenyl Radical Dimers2016

    • Author(s)
      Naoyuki Matsushita, Hiroshi Matsui, Kotaro Fukuda, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      1st International Symposium on Photosynergetics, Grant-in-Aid for Scientific Research on Innovative Areas (2014-2018), MEXT, Japan
    • Place of Presentation
      Osaka Univ.(大阪府・豊中市)
    • Year and Date
      2016-06-02
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 遷移金属-炭素間結合における三次非線形光学特性についての理論研究2016

    • Author(s)
      高椋 章太、永海 貴識、藤吉 純也、北河 康隆、中野 雅由
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス(東京都・新宿区)
    • Year and Date
      2016-05-23
    • Related Report
      2016 Annual Research Report
  • [Presentation] 一次元シリコン鎖の三次非線形光学物性に対するジラジカル性およびσ/π 共役の効果2016

    • Author(s)
      松井 啓史、伊藤 聡一、永海 貴識、藤吉 純也、岸 亮平、中野 雅由
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス(東京都・新宿区)
    • Year and Date
      2016-05-23
    • Related Report
      2016 Annual Research Report
  • [Presentation] 直線状縮環共役炭化水素系が持つ開殻性と磁気遮蔽テンソルの鎖長依存性についての理論研究2016

    • Author(s)
      福田 幸太郎、藤吉 純也、永海 貴識、岸 亮平、北河 康隆、中野 雅由
    • Organizer
      第19回理論化学討論会
    • Place of Presentation
      早稲田大学 西早稲田キャンパス(東京都・新宿区)
    • Year and Date
      2016-05-23
    • Related Report
      2016 Annual Research Report
  • [Presentation] プロトン共役電子移動による水素原子の包接安定化と反応性制御2016

    • Author(s)
      平尾 泰一・西内智彦・久保孝史
    • Organizer
      感応性化学種が拓く新物質科学 第6回公開シンポジウム
    • Place of Presentation
      広島大学学士会館レセプションホール(広島県・東広島市)
    • Year and Date
      2016-05-20
    • Related Report
      2016 Annual Research Report
  • [Presentation] Open-Shell Character Based Design for Nonlinear Optical Molecular Systems2016

    • Author(s)
      Masayoshi Nakano
    • Organizer
      The 70th Fujihara Seminar, “International Symposium on New Development of Physical Organic Chemistry: Construction of Chemical Principles Determining Structures, Reactions, and Properties”
    • Place of Presentation
      The LUIGANS Spa & Resort(福岡県・福岡市)
    • Year and Date
      2016-04-17
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Self-Association Behaviors of Phenalenyl Radicals2016

    • Author(s)
      Takashi Kubo
    • Organizer
      70th Fujihara Seminar
    • Place of Presentation
      ルイガンズ福岡(福岡県・福岡市)
    • Year and Date
      2016-04-17
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Self-Association Behaviors of Phenalenyl Radicals2016

    • Author(s)
      Takashi Kubo , Miklos Kertesz
    • Organizer
      第70回藤原セミナー 物理有機化学の新展開:構造、反応、物性を支配する化学原理の構築
    • Place of Presentation
      ルイガンズ福岡(福岡県・福岡市)
    • Year and Date
      2016-04-17
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Design of Open-Shell π-Conjugated Molecular Systems for Nonlinear Optics2016

    • Author(s)
      Masayoshi Nakano, Ryohei Kishi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Shota Takamuku, Takanori Nagami, Jun-ya Fujiyoshi, Yasutaka Kitagawa
    • Organizer
      2nd International Symposium on π-System Figuration
    • Place of Presentation
      Community Center Urawa(埼玉県・さいたま市)
    • Year and Date
      2016-04-14
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical investigation of open-shell nature and magnetic shielding tensor of polyacene and dicyclopenta-fused acene2016

    • Author(s)
      Kotaro Fukuda, Jun-ya Fujiyoshi, Masayoshi Nakano
    • Organizer
      2nd International Symposium on π-System Figuration
    • Place of Presentation
      Community Center Urawa(埼玉県・さいたま市)
    • Year and Date
      2016-04-14
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Singlet diradicaloids as nonlinear optical materials2016

    • Author(s)
      Kenji Kamada
    • Organizer
      2016 MRS Spring Meeting
    • Place of Presentation
      Phoenix, USA
    • Year and Date
      2016-03-30
    • Related Report
      2015 Annual Research Report
  • [Presentation] 量子マスター方程式に基づくシングレットフィッションダイナミクスの理論研究2016

    • Author(s)
      中野 雅由, 永海 貴識, 伊藤 聡一, 久保 孝史
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 亜鉛ジピリン錯体モデルの光物性に関する理論研究2016

    • Author(s)
      浅岡 瑞稀, 西久保 玲奈, 宮城 公磁, 竹林 拓, 北河 康隆, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 共有結合二量体のシングレットフィッションに関する電子的相互作用の理論解析と設計指針の提案2016

    • Author(s)
      伊藤 聡一, 永海 貴識, 久保 孝史, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] ペロピレン二量体のシングレットフィッションに関する電子的相互作用の分子配置依存性の理論的研究2016

    • Author(s)
      永海 貴識, 伊藤 聡一, 久保 孝史, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] ジラジカル分子二量体における分子間相互作用と三次非線形光学物性に関する理論研究2016

    • Author(s)
      米田 京平, 松下 尚之, 藤吉 純也, 松井 啓史, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] シリコン鎖の三次非線形光学物性に対する開殻性とσ/π共役の効果の理論的研究2016

    • Author(s)
      松井 啓史, 福田 幸太郎, 伊藤 聡一, 藤吉 純也, 永海 貴識, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 非対称開殻性を有するフェナレノン異性体の非線形光学物性に関する理論的研究2016

    • Author(s)
      南田 有加, 福田 幸太郎, 伊藤 聡一, 松下 尚之, 松井 啓史, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 開殻性を持つフェナレニルラジカル二量体の二光子吸収特性に関する理論的研究2016

    • Author(s)
      松下 尚之, 福田 幸太郎, 伊藤 聡一, 松井 啓史, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 有機配位子を介したアルカリ金属間結合のジラジカル因子と三次非線形光学特性についての理論的研究2016

    • Author(s)
      高椋 章太, 北河 康隆, 松井 啓史, 永海 貴識, 藤吉 純也, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 水素結合会合体のプロトン-電子移動と開殻性、第二超分極率との相関についての理論研究2016

    • Author(s)
      泉 志旺, 伊藤 聡一, 松井 啓史, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 直鎖縮環共役炭化水素系の開殻性と磁気遮蔽テンソルの空間相関に関する理論研究2016

    • Author(s)
      福田 幸太郎, 藤吉 純也, 永海 貴識, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] 直鎖縮環共役炭化水素系の開殻性と電流密度異方性の空間相関に関する理論研究2016

    • Author(s)
      福田 幸太郎, ○藤吉 純也, 永海 貴識, 中野 雅由
    • Organizer
      日本化学会第96春季年会
    • Place of Presentation
      同志社大学京田辺キャンパス(京都)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] Singlet Fission Dynamics Using a Quantum Master Equation Approach2016

    • Author(s)
      Masayoshi Nakano
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] Theoretical Study on Magnetic Properties of Cyanide-Bridged Fe-Co Complex2016

    • Author(s)
      Yasutaka Kitagawa
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] Open-Shell Nature and Magnetic Shielding Tensor of Polyacenes and Dicyclopenta-Fused Acenes2016

    • Author(s)
      Kotaro Fukuda
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] Design of Intramolecular Singlet Fission by Bridge-Mediated Electronic Coupling Analysis2016

    • Author(s)
      Soichi Ito
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] Open-Shell Singlet Nature and σ-/π-Conjugation Effects on the Third-Order Nonlinear Optical Properties of Si Chains2016

    • Author(s)
      Hiroshi Matsui
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] Origin of Third-Order Nonlinear Optical Properties of Metal-Carbon Bonds2016

    • Author(s)
      Shota Takamuku
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar “New materials for nonlinear optics”
    • Place of Presentation
      Auditorium CH21, University of Namur, Namur, Belgium
    • Year and Date
      2016-03-04
    • Related Report
      2015 Annual Research Report
  • [Presentation] 開殻性を持つフェナレニルラジカル二量体の二光子吸収特性に関する理論研究2016

    • Author(s)
      松下尚之、福田幸太郎、伊藤聡一、松井啓史、藤吉純也、永海貴識、泉志旺、岸亮平、中野雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 実在コラヌレン骨格を含む開殻一重項π共役系の非線形光学効果に関する理論的研究2016

    • Author(s)
      南田有加、福田幸太郎、松井啓史、永海貴識、藤吉 純也、岸亮平、中野雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] インデノフルオレン系の開殻性、芳香族性、非線形光学物性に関する理論研究2016

    • Author(s)
      福田、藤吉、岸、中野
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 金属-炭素結合の開殻性と三次非線形光学特性についての研究2016

    • Author(s)
      高椋章太、永海貴識、岸亮平、北河康隆、中野雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 一次元シリコン鎖の第二超分極率における開殻性とσ/π共役の効果2016

    • Author(s)
      松井 啓史・福田 幸太郎・伊藤 聡一・藤吉 純也・永海 貴識・泉志旺・岸亮平・中野 雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 高効率シングレットフィッションを示すペロピレン分子配置の量子化学計算に基づく探索2016

    • Author(s)
      永海貴識、伊藤聡一、久保孝史、中野雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 無置換boron-dipyrromethene(BODIPY)と亜鉛ジピリン錯体の光物性に関する理論的研究2016

    • Author(s)
      浅岡 瑞稀・西久保 玲奈・宮城 公磁・竹林 拓・北河 康隆・中野 雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] カテコール-キノン会合体の開殻性と第二超分極率の相関についての理論研究2016

    • Author(s)
      泉、永海、藤吉、伊藤、岸、中野
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 直線状縮合多環炭化水素系の開殻性と誘導電流密度異方性の相関に関する理論研究2016

    • Author(s)
      藤吉純也、福田幸太郎、永海貴識、岸亮平、北河康隆、中野雅由
    • Organizer
      第13回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター(京都)
    • Year and Date
      2016-02-05
    • Related Report
      2015 Annual Research Report
  • [Presentation] 近赤外二光子吸収材料とその応用2016

    • Author(s)
      鎌田 賢司
    • Organizer
      第13回赤外放射応用関連学会年会
    • Place of Presentation
      東京工科大学蒲田キャンパス(東京都大田区)
    • Year and Date
      2016-02-02
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 量子マスター方程式に基づくシングレットフィッションダイナミクス2016

    • Author(s)
      中野雅由、永海貴識、伊藤聡一、久保孝史
    • Organizer
      新学術領域研究 「高次複合光応答分子システムの開拓と学理の構築」 平成27年度第3回公開シンポジウム
    • Place of Presentation
      阪大基礎工 シグマホール(大阪府)
    • Year and Date
      2016-01-23
    • Related Report
      2015 Annual Research Report
  • [Presentation] Spatial correlation between open-shell nature and magnetic shielding tensor of polyacenes and dicyclopenta-fused acenes2016

    • Author(s)
      Kotaro Fukuda, Jun-ya Fujiyoshi, Takanori Nagami, Ryohei Kishi, Yasutaka Kitagawa, Masayoshi Nakano
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      Sigma Hall, Toyonaka Campus, Osaka University(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Electronic Coupling Design in Intramolecular Singlet Fission2016

    • Author(s)
      Soichi Ito, Takanori Nagami, Takashi Kubo, Masayoshi Nakano
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      Sigma Hall, Toyonaka Campus, Osaka University(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Study on Open-Shell Singlet Nature and Third-Order Nonlinear Optical Properties of One-Dimensional π-Stacked Thiazyl Radical Aggregates2016

    • Author(s)
      Hiroshi Matsui
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      Sigma Hall, Toyonaka Campus, Osaka University(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 開殻性に基づく光機能物質設計2016

    • Author(s)
      中野雅由
    • Organizer
      第268回分子工学コロキウム
    • Place of Presentation
      京都大学 桂キャンパス(京都府・京都市)
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Two-photon absorption of π-extended chromophore in confined geometry2016

    • Author(s)
      Kenji Kamada, Kenji Kobayashi
    • Organizer
      14th International Conference on the Frontiers of Polymers and Advanced Materials (ICFPAM2016)
    • Place of Presentation
      Daejeon Convention Center(Deajon, 韓国)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] クムレン構造を持つ分子による一重項分裂特性の発現への試み2016

    • Author(s)
      伊原 敬治, 平尾 泰一, 西内 智彦, 石橋 千英, 朝日 剛, 鎌田 賢司, 久保 孝史
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] 光カチオン重合開始剤の量子化学計算による二光子吸収特性の予測と実測との対比2016

    • Author(s)
      高橋 利明, 鎌田 賢司
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] Chichibabin類縁骨格を持つ一重項ジラジカル性化合物の二光子吸収特2016

    • Author(s)
      水谷 瞭太, 鎌田 賢司, 竹下 将人, 岸 亮平, 中野 雅由, 山本 陽介
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート(兵庫県・神戸市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] 超原子価5配位窒素ラジカルカチオン化合物の合成および多量体の構造と性質2016

    • Author(s)
      多田 航, 竹下 将人, 山本 陽介, 古川 貢, 中野 雅由, 鎌田 賢司
    • Organizer
      第27回基礎有機化学討論会
    • Place of Presentation
      広島国際会議場(広島県・広島市)
    • Related Report
      2016 Annual Research Report
  • [Presentation] Synthesis and Properties of Novel Overcrowded Quinones Which Can Adapt Various Forms2016

    • Author(s)
      Takeshi Suzuki
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      大阪大学 シグマホール(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Synthesis and Properties of Through-Space Conjugated Phenalenyl Radical2016

    • Author(s)
      Takuya Kodama
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      大阪大学 シグマホール(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Investigation on the Intramolecular Interaction of the V-shaped Molecule with Two NAD+/NADH Redox Sites2016

    • Author(s)
      Mitsuru Teraoka
    • Organizer
      Workshop on New π-Electronic Systems: Theory and Experiments
    • Place of Presentation
      大阪大学 シグマホール(大阪府・豊中市)
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 開殻性を持つ光機能性分子系の理論設計2015

    • Author(s)
      中野雅由
    • Organizer
      統計数理研究所 数学恊働プログラム 工学と現代数学の接点を求めて(1)
    • Place of Presentation
      大阪大学基礎工学研究科(大阪府)
    • Year and Date
      2015-12-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] Theoretical study on the optical response properties of molecular aggregates of open-shell polycyclic aromatic hydrocarbons2015

    • Author(s)
      Ryohei Kishi, Michika Saito, Naoyuki Matsushita, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on singlet fission in polyaromatic hydrocarbon dimers: electronic and vibronic coupling2015

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical investigation of open-shell singlet nature, aromaticity and nonlinear optical properties of π-conjugated condensed-ring systems involving antiaromatic rings2015

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on open-shell singlet nature and nonlinear optical properties of π-stacked thiazyl radical multimers2015

    • Author(s)
      Hiroshi Matsui, Kotaro Fukuda, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on the Relationship between the Open-Shell Singlet Nature and the Second Hyperpolarizabilities of Corannulene Derivatives with Two Phenoxyl Radicals Moieties2015

    • Author(s)
      Yuka Minamida, Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Two-photon excited NIR emissive dye with ESIPT behavior2015

    • Author(s)
      Naoya Suzuki, Aiko Fukazawa, Masayasu Taki, Kenji Kamada, Shigehiro Yamaguchi
    • Organizer
      Pacifichem2015 (The 2015 International Chemical Congress of Pacific Basin Societies)
    • Place of Presentation
      Honolulu, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Nonlinear absorption of polycyclic aromatic hydrocarbons with open-shell singlet character2015

    • Author(s)
      Kenji Kamada
    • Organizer
      Pacifichem2015 (The 2015 International Chemical Congress of Pacific Basin Societies)
    • Place of Presentation
      Honolulu, USA
    • Year and Date
      2015-12-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Open-shell π-conjugated molecular systems for nonlinear optics2015

    • Author(s)
      Masayoshi Nakano, Ryohei Kishi, Kyohei Yoneda, Kotaro Fukuda, Benoit Champagne
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hilton Hawaiian Village, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Toward synthesis of thermally stable triplet carbenes2015

    • Author(s)
      Yohsuke Yamamoto, Junki Yamamoto, Shin-ichi Fuku-en, Ko Furukawa, Ryohei Kishi
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hilton Hawaiian Village, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on electron conductivities of 1D nickel(II) complexes2015

    • Author(s)
      Yasutaka Kitagawa, Taku Takebayashi, Mizuki Asaoka, Koji Miyagi, Yasuteru Shigeta, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on the open-shell characters and third-order nonlinear optical properties of organometallic compounds2015

    • Author(s)
      Shota Takamuku, Yasutaka Kitagawa, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study on photoabsorption properties of unsubstituted boron-dipyrromethene (BODIPY)2015

    • Author(s)
      Mizuki Asaoka, Koji Miyagi, Taku Takebayashi, Yasutaka Kitagawa, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Novel fluorenyl-based hydrocarbon radicals2015

    • Author(s)
      Kubo, T.
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Honolul, USA
    • Year and Date
      2015-12-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Asymmetric open-shell molecular systems: Remarkable nonlinear optical responses and their spin state dependences2015

    • Author(s)
      Masayoshi Nakano, Kotaro Fukuda, Soichi Ito, Yuka Minamida
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hilton Hawaiian Village, USA
    • Year and Date
      2015-12-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Hypervalent pentacoordinated nirogen radical cations: Synthesis, structure, and application to singlet diradicaloid2015

    • Author(s)
      Yohsuke Yamamoto, Masato Takeshita, Kaoko Sato, Junya Nakatsuji, Akihiro Kurosaki, Masayoshi Nakano, Ryohei Kishi, Ko Furukawa, Kenji Kamada
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hilton Hawaiian Village, USA
    • Year and Date
      2015-12-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] DFT-D study on geometric and electronic structures of double-decker bis(phthalocyaninato)terbium(III) complex2015

    • Author(s)
      Yasutaka Kitagawa, Keiichi Katoh, Mizuki Asaoka, Koji Miyagi, Taku Takebayashi, Masahiro Yamashita, Masayoshi Nakano
    • Organizer
      Pacifichem2015
    • Place of Presentation
      Hawaii Convention Center, USA
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 芳香族性と開殻一重項性の相関2015

    • Author(s)
      福田幸太郎
    • Organizer
      第2回 π造形科学若手研究会
    • Place of Presentation
      不死王閣(大阪府)
    • Year and Date
      2015-11-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] Theoretical Study on the Diradical Character and the Third-Order Nonlinear Optical Properties of Transition Metal - Carbon Bonds2015

    • Author(s)
      Shota Takamuku, Takanori Nagami, Yasutaka Kitagawa, Masayoshi Nakano
    • Organizer
      iSIMSC 2nd
    • Place of Presentation
      千里阪急ホテル(大阪府)
    • Year and Date
      2015-11-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Nonlinear optical properties of open-shell singlet molecular systems2015

    • Author(s)
      M. Nakano
    • Organizer
      6th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Smolenice Castle near Bratislava, Slovakia
    • Year and Date
      2015-10-11
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] BODIPYの光物性に関する理論研究2015

    • Author(s)
      浅岡 瑞稀, 宮城 公磁, 竹林 拓, 北河 康隆, 中野 雅由
    • Organizer
      錯体化学会第65回討論会
    • Place of Presentation
      奈良女子大学(奈良)
    • Year and Date
      2015-09-21
    • Related Report
      2015 Annual Research Report
  • [Presentation] ジラジカル分子集合系の開殻性と三次非線形光学物性に関する理論的研究2015

    • Author(s)
      米田 京平, 福田 幸太郎, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 1次元Ni錯体の電気伝導におけるスピン状態の効果に関する理論研究2015

    • Author(s)
      北河 康隆, 竹林 拓, 浅岡 瑞稀, 宮城 公磁, 中野 雅由
    • Organizer
      第9回分子科学討論会2015東京
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 一次元開殻分子集合体の二光子遷移特性についての理論研究2015

    • Author(s)
      岸 亮平, 松下 尚之, 齋藤 真和, 米田 京平, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] インデノフルオレン拡張体の開殻性、芳香族性、光応答物性に関する理論研究2015

    • Author(s)
      福田 幸太郎, 永海 貴識, 米田 京平, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] ケイ素ーケイ素結合を含む共役系の開殻性と三次非線形光学物性についての理論研究2015

    • Author(s)
      松井 啓史, 福田 幸太郎, 永海 貴識, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] シングレットフィッション分子の理論設計:縮環炭化水素における置換基/ねじれを利用したジラジカル因子の制御2015

    • Author(s)
      伊藤 聡一, 永海 貴識, 久保 孝史, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 非対称開殻分子系の三次非線形光学物性の開殻性および磁気的相互作用との相関についての理論研究2015

    • Author(s)
      中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 実在コラヌレン骨格を含む開殼π共役系二量体の 開殻性と非線形光学物性に関する研究2015

    • Author(s)
      南田 有加, 福田 幸太郎, 永海 貴識, 米田 京平, 岸 亮平, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 金属-炭素結合の開殻性と光学物性についての理論研究2015

    • Author(s)
      高椋 章太, 永海 貴識, 北河 康隆, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 密度汎関数法による無置換BODIPYにおける吸収・発光特性の理論研究2015

    • Author(s)
      浅岡 瑞稀, 宮城 公磁, 竹林 拓, 北河 康隆, 中野 雅由
    • Organizer
      第9回分子科学討論会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京)
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 開殻分子系の非線形光学物性2015

    • Author(s)
      中野雅由
    • Organizer
      第27回 CMDワークショップ2015(大阪大学) 先端研究事例講義
    • Place of Presentation
      大阪大学 (大阪府)
    • Year and Date
      2015-09-01
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Characterization of two-photon absorption of highly symmetric molecules2015

    • Author(s)
      Tomotaka Namikawa, Yuto Kita, Yutaka Fujiwara, Kenji Kobayashi, Kenji Kamada
    • Organizer
      XXIV International Materials Research Congress
    • Place of Presentation
      Cancun, Mexico
    • Year and Date
      2015-08-17
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Nonlinear optical properties of open-shell molecular systems2015

    • Author(s)
      Masayoshi Nakano
    • Organizer
      250th American Chemical Society National Meeting & Exposition Division of Physical Chemistry
    • Place of Presentation
      Boston Convention Center, USA
    • Year and Date
      2015-08-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical molecular design for singlet fission based on the diradical character: tetrathiafulvalene and bisimidazol diradicals2015

    • Author(s)
      Soichi Ito, Naoto Ito and Masayoshi Nakano
    • Organizer
      250th American Chemical Society National Meeting & Exposition Division of Physical Chemistry
    • Place of Presentation
      Boston Convention Center, USA
    • Year and Date
      2015-08-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Revisiting the chemistry of the phenalenyls2015

    • Author(s)
      Kubo, T.
    • Organizer
      250th ACS National Meeting & Exposition
    • Place of Presentation
      Boston, USA
    • Year and Date
      2015-08-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 遷移金属-炭素結合のジラジカル因子と光学物性についての理論研究2015

    • Author(s)
      高椋 章太, 永海 貴識, 北河 康隆, 中野 雅由
    • Organizer
      第27回配位化合物の光化学討論会
    • Place of Presentation
      佐渡インフォメーションセンター(あいぽーと佐渡), 佐渡市
    • Year and Date
      2015-08-07
    • Related Report
      2015 Annual Research Report
  • [Presentation] Theoretical study on electronic structures and optical response properties of open-shell quinoidal oligothiophenes involving S,S-dioxo-thiophene rings2015

    • Author(s)
      Ryohei Kishi, Shoki Ochi, Michika Saito, Masayoshi Nakano
    • Organizer
      12th International Symposium on Functional π-Electron Systems (Fπ-12)
    • Place of Presentation
      University of Washington, Seattle, Washington, USA
    • Year and Date
      2015-07-19
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] DFT-D studies of dispersion interaction between phthalocyanines in double-decker phthalocyaninato-terbium(III) (TbPc2) complex2015

    • Author(s)
      Yasutaka Kitagawa, Taku Takebayashi, Mizuki Asaoka, Koji Miyagi, Masayoshi Nakano
    • Organizer
      12th International Symposium on Functional π-Electron Systems (Fπ-12)
    • Place of Presentation
      University of Washington, Seattle, Washington, USA
    • Year and Date
      2015-07-19
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical Studies on Efficient Nonlinear Optical Switches by Tuning Diradical Character Controlled by Photochromic Reaction2015

    • Author(s)
      Katsuki Okuno, Yasuteru Shigeta, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      12th International Symposium on Functional π-Electron Systems (Fπ-12)
    • Place of Presentation
      University of Washington, Seattle, Washington, USA
    • Year and Date
      2015-07-19
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Experimental Study on Association Mode of Phenalenyl Radicals2015

    • Author(s)
      Kubo, T.
    • Organizer
      7th Pacific Symposium on Radical Chemistry
    • Place of Presentation
      Singapore
    • Year and Date
      2015-07-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 「シングレットフィッションの最近の研究動向について」2015

    • Author(s)
      中野雅由
    • Organizer
      日本学術振興会 分子系の複合電子機能第181委員会 第22回研究会 「生命革新機能と分子複合技術」
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2015-07-07
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Theoretical Investigation of Open-Shell Singlet Nature and Second Hyperpolarizabilities of π-Conjugated Systems Involving Antiaromatic Rings2015

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      16th International Symposium on Novel Aromatic Compounds (ISNA16)
    • Place of Presentation
      Universidad Complutense de Madrid, Madrid, Spain
    • Year and Date
      2015-07-05
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Studies on Self-Association Mode of Phenalenyl Radicals2015

    • Author(s)
      Kubo, T.
    • Organizer
      16th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Madrid, Spain
    • Year and Date
      2015-07-05
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Vibronic coupling and its microscopic analysis of singlet fission in tetracene dimer2015

    • Author(s)
      Soichi Ito
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar
    • Place of Presentation
      C319, Graduate School of Engineering Science, Osaka University, Osaka
    • Year and Date
      2015-07-03
    • Related Report
      2015 Annual Research Report
  • [Presentation] Open-shell nature, aromaticity and second hyperpolarizabilities of indenofluorene series2015

    • Author(s)
      Kotaro Fukuda
    • Organizer
      JSPS-F.R.S.-FNRS Bilateral Programs, Joint Research Projects Seminar
    • Place of Presentation
      C319, Graduate School of Engineering Science, Osaka University, Osaka
    • Year and Date
      2015-07-03
    • Related Report
      2015 Annual Research Report
  • [Presentation] Quantum chemical study on the optical response properties of pi-stack aggregates of open-shell polycyclic aromatic hydrocarbons2015

    • Author(s)
      Ryohei Kishi, Michika Saito, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      NT15 (The sixteenth international conference on the science and application of nanotubes)
    • Place of Presentation
      Toyota Auditorium, Nagoya University, Nagoya, Japan
    • Year and Date
      2015-06-29
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Quantum chemical study on the excitation and optical response properties of pi-stack aggregates of open-shell polycyclic aromatic hydrocarbons2015

    • Author(s)
      Ryohei Kishi, Michika Saito, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      CCTN (Tenth International Symposium on Computational Challenges and Tools for Nanotubes)
    • Place of Presentation
      IB building, Nagoya University, Nagoya, Japan
    • Year and Date
      2015-06-28
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Recent Advances of Two-Photon Absorption Materials by Experimental and Computational Studies2015

    • Author(s)
      Kenji Kamada
    • Organizer
      The 11th Korea-Japan Symposium on Frontier Photoscience-2015 (KJFP-2015)
    • Place of Presentation
      Jeju, Korea
    • Year and Date
      2015-06-28
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] New Aspects of Association of Phenalenyl Radicals2015

    • Author(s)
      Kubo, T.
    • Organizer
      Gordon Research Conferences (Physical Organic Chemistry)
    • Place of Presentation
      Holderness, USA
    • Year and Date
      2015-06-21
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Vibronic Coupling Density Analysis of Singlet Fission in Tetracene Dimer2015

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      2015 Singlet Fission Workshop
    • Place of Presentation
      Peaceful Valley Ranch and Conference Center, Lyons, Colorado, USA
    • Year and Date
      2015-06-20
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 開殻分子系の光応答についての理論研究2015

    • Author(s)
      中野雅由
    • Organizer
      新学術領域研究「π造形科学:電子と構造のダイナミズム制御による新機能創出」第2回公開シンポジウム
    • Place of Presentation
      大阪市中央公会堂(大阪市)
    • Year and Date
      2015-06-08
    • Related Report
      2015 Annual Research Report
  • [Presentation] Theoretical study on electron conductivities of one-dimensional Ni complexes: Ferromagnetic and anti-ferromagnetic state dependences2015

    • Author(s)
      Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Masayoshi Nakano
    • Organizer
      The 15th International Congress of Quantum Chemistry (ICQC)
    • Place of Presentation
      New Tsinghua Amphitheatre, Tsinghua University, Beijing, China
    • Year and Date
      2015-06-08
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Theoretical study of spin polarization effects on the conductivity in single molecular junctions2015

    • Author(s)
      Taku Takebayashi, Yasutaka Kitagawa, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
    • Organizer
      The 15th International Congress of Quantum Chemistry (ICQC)
    • Place of Presentation
      New Tsinghua Amphitheatre, Tsinghua University, Beijing, China
    • Year and Date
      2015-06-08
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子構造と二光子吸収特性:実測と理論計算の対比から2015

    • Author(s)
      鎌田 賢司
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学豊中キャンパス(大阪)
    • Year and Date
      2015-05-21
    • Related Report
      2015 Annual Research Report
  • [Presentation] 点電荷H4モデルを用いた対称開殻X-π-X(X=Donor/Acceptor)系の励起プロパティと第二超分極率に関する研究2015

    • Author(s)
      福田 幸太郎、中野 雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館 (大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] 一重項分裂初期過程の量子ダイナミクス:振電相互作用の効果2015

    • Author(s)
      伊藤 聡一、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] フェナレニルラジカル二量体における三次非線形光学物性のドナー/アクセプター置換基効果に関する理論研究2015

    • Author(s)
      米田京平、福田幸太郎、松井啓史、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] πスタック型チアジルラジカル多量体の開殻一重項性と第二超分極率2015

    • Author(s)
      松井啓史、福田幸太郎、米田京平、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] 遷移金属カルベンカチオンにおける光学特性についての研究2015

    • Author(s)
      高椋章太、北河康隆、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] 非対称開殻分子系の励起エネルギー・励起プロパティーの開殻性および磁気的相互作用との関係2015

    • Author(s)
      中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] 実在コラヌレン骨格を含む開殼一重項π共役系の非線形光学効果に関する研究2015

    • Author(s)
      南田有加、福田幸太郎、米田京平、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] 1,3-ジラジカル化合物の電子励起および光応答特性に対する理論研究2015

    • Author(s)
      齋藤真和、岸亮平、安倍学、中野雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] DFT並びにTD-DFT法を用いた無置換BODIPYの光吸収特性に関する研究2015

    • Author(s)
      浅岡 瑞稀、宮城 公磁、竹林 拓、北河 康隆、中野 雅由
    • Organizer
      第18回理論化学討論会
    • Place of Presentation
      大阪大学会館(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
  • [Presentation] フェナレルラジカルの会合挙動に関する実験的考察2015

    • Author(s)
      久保孝史
    • Organizer
      第18回 理論化学討論会
    • Place of Presentation
      大阪大学(大阪府)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 単分子および分子集合系の開殻性と光応答の理論計算化学2015

    • Author(s)
      中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 非対称一重項開殻縮環共役系の第二超分極率についての理論研究2015

    • Author(s)
      中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 1,3-ジラジカル化合物の電子励起および光応答特性に対する置換基効果の理論研究2015

    • Author(s)
      齋藤 真和, 岸 亮平, 森田 啓介, 安倍 学, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] フェナレニルラジカル分子からなる一次元分子集合体の励起および光応答特性についての理論研究2015

    • Author(s)
      岸 亮平, 森田 啓介, 米田 京平, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 五員環を含む曲面縮環共役分子系の開殻性と第二超分極率に関する理論的研究2015

    • Author(s)
      福田 幸太郎, 南田 有加, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] コラヌレン骨格を含む開殻一重項曲面型π共役系のジラジカル因子と第二超分極率に関する理論的研究2015

    • Author(s)
      南田 有加, 福田 幸太郎, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 一重項分裂に対する強い振電相互作用効果の量子波束動力学法による研究2015

    • Author(s)
      伊藤 聡一, 伊藤 直人, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 遷移金属カルベンカチオンの開殻性と三次非線形光学特性についての理論的研究2015

    • Author(s)
      高椋 章太, 北河 康隆, 中野 雅由
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 多分岐フェニルエチニルベンゼンの二光子吸収特性:ドナー性スチリル基によるπ共役の拡張2015

    • Author(s)
      並河 知孝, 鎌田 賢司, 喜多 佑斗, 藤原 寛, 小林 健二
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部,
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] ESIPT蛍光団を用いた二光子励起近赤外発光材料の開発2015

    • Author(s)
      並河 知孝, 鎌田 賢司, 喜多 佑斗, 藤原 寛, 小林 健二
    • Organizer
      日本化学会 第95春季年会(2015)
    • Place of Presentation
      日本大学 理工学部船橋キャンパス/薬学部
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] フェナレニル分子集合体の励起状態電子構造と光応答の理論研究2015

    • Author(s)
      岸 亮平, 森田 啓介, 米田 京平, 中野 雅由
    • Organizer
      新学術領域研究「高次複合光応答分子システムの開拓と学理の構築」第2回公開シンポジウム
    • Place of Presentation
      千里ライフサイエンスセンター
    • Year and Date
      2015-01-23 – 2015-01-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] ジラジカル因子に基づく高効率一重項分裂分子の理論設計:ヘテロアセン分子のπ共役長と芳香族性による制御2015

    • Author(s)
      伊藤 聡一, 中野 雅由
    • Organizer
      新学術領域研究「高次複合光応答分子システムの開拓と学理の構築」第2回公開シンポジウム
    • Place of Presentation
      千里ライフサイエンスセンター
    • Year and Date
      2015-01-23 – 2015-01-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] C60部分骨格としての曲面縮環π共役系:開殻非線形光学物性の視点から2015

    • Author(s)
      福田 幸太郎, 南田 有加, 中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] チアジルラジカル多量体における開殻一重項性と第二超分極率に関する理論研究2015

    • Author(s)
      松井 啓史, 福田 幸太郎, 伊藤 聡一, 南田 有加, 中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 1,4-ジラジカル化合物の電子構造と光応答特性についての理論研究2015

    • Author(s)
      森田 啓介、岸 亮平、中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 異核遷移金属鎖におけるジラジカル因子と三次非線形光学物性の相関:金属種配列効果2015

    • Author(s)
      高椋 章太, 北河 康隆, 中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 1,3-ジラジカル化合物の電子励起および光応答特性についての理論研究2015

    • Author(s)
      齋藤 真和, 岸 亮平, 森田 啓介, 中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] コラヌレン骨格を含む非局在開殻一重項曲面型π共役系の開殻性と非線形光学効果2015

    • Author(s)
      南田 有加, 福田 幸太郎, 中野 雅由
    • Organizer
      第12回京都大学福井謙一記念研究センターシンポジウム-諸熊奎治先生傘寿記念-
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2015-01-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] Singlet exciton fission induced by rapid intramolecular vibration in tetracene dimer2014

    • Author(s)
      伊藤 聡一, 中野 雅由
    • Organizer
      第9回協定講座シンポジウム「計算生物学と材料科学の融合III」
    • Place of Presentation
      神戸大学統合研究拠点, 神戸
    • Year and Date
      2014-12-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on Optical Response Properties and Electron Dynamics of Open-shell Singlet Species2014

    • Author(s)
      Ryohei Kishi, Masayoshi Nakano
    • Organizer
      he 2nd International Symposium for Young Chemists on Stimuli-Responsive Chemical Species for the Creation of Functional Molecules
    • Place of Presentation
      Engineering Science International Building (Sigma-Hall), Toyonaka, Osaka, Japan,
    • Year and Date
      2014-12-09 – 2014-12-10
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Enhancement of the Second Hyperpolarizabilities of X-π-X Systems (X = Donor or Acceptor): Synergetic Effects of Symmetric Intramolecular Charge Transfer and Open-Shell Singlet Nature2014

    • Author(s)
      Kotaro Fukuda, Yuka Minamida, Masayoshi Nakano
    • Organizer
      The 2nd International Symposium for Young Chemists on Stimuli-Responsive Chemical Species for the Creation of Functional Molecules,
    • Place of Presentation
      Engineering Science International Building (Sigma-Hall), Toyonaka, Osaka, Japan,
    • Year and Date
      2014-12-09 – 2014-12-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Diradical Character Based Design of Heteroacenes for Efficient Singlet Fission2014

    • Author(s)
      Soichi Ito, Naoto Ito, Masayoshi Nakakno
    • Organizer
      The 2nd International Symposium for Young Chemists on Stimuli-Responsive Chemical Species for the Creation of Functional Molecules
    • Place of Presentation
      Engineering Science International Building (Sigma-Hall), Toyonaka, Osaka, Japan
    • Year and Date
      2014-12-09 – 2014-12-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Relationship between diradical character and second hyperpolarizability of π-stacked thiazyl radical multimers2014

    • Author(s)
      Hiroshi Matsui, Shota Takamuku, Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      The 2nd International Symposium for Young Chemists on Stimuli-Responsive Chemical Species for the Creation of Functional Molecules
    • Place of Presentation
      Engineering Science International Building (Sigma-Hall), Toyonaka, Osaka, Japan
    • Year and Date
      2014-12-09 – 2014-12-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study of single-molecule conductivity of polyacenes; Effects of the spin polarization2014

    • Author(s)
      Taku Takebayashi, Yasutaka Kitagawa, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
    • Organizer
      Joint Winter School & Workshop for Interdisciplinary Research on Material Science of JLU Giessen and Osaka University
    • Place of Presentation
      JLU Giessen, Giessen, Germany
    • Year and Date
      2014-12-08 – 2014-12-12
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Relationship between the Diradical Characters and the Third-order Nonlinear Optical Properties of One-dimentional Heteronuclear Transition-metal Clusters2014

    • Author(s)
      Shota Takamuku, Yasutaka Kitagawa, Masayoshi Nakano
    • Organizer
      The 1st International Symposium on Interactive Materials Science Cadet Program (iSIMSC)
    • Place of Presentation
      Hotel Hankyu Expo Park, Osaka, Japan
    • Year and Date
      2014-11-17 – 2014-11-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] Synergy Effect of the Donor?π?Donor Nature and the Intermediate Diradical Character on the Second Hyperpolarizabilities2014

    • Author(s)
      Kotaro Fukuda and Masayoshi Nakano
    • Organizer
      The 1st International Symposium on Interactive Materials Science Cadet Program (iSIMSC)
    • Place of Presentation
      Hotel Hankyu Expo Park, Osaka, Japan
    • Year and Date
      2014-11-17 – 2014-11-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] Singlet Fission Induced by Rapid Molecular Vibrations in Tetracene Dimer2014

    • Author(s)
      Soichi Ito and Masayoshi Nakano
    • Organizer
      The 1st International Symposium on Interactive Materials Science Cadet Program (iSIMSC)
    • Place of Presentation
      Hotel Hankyu Expo Park, Osaka, Japan
    • Year and Date
      2014-11-17 – 2014-11-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study on the diradical characters and optical response properties of open-shell quinoidal oligothiophenes2014

    • Author(s)
      Ryohei Kishi, Masayoshi Nakano
    • Organizer
      Vietnum Malaysia International Chemical Congress (VMICC)
    • Place of Presentation
      Daewoo Hotel, Hanoi, Vietnam
    • Year and Date
      2014-11-07 – 2014-11-09
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 開殻性が拓く光応答物性2014

    • Author(s)
      中野 雅由
    • Organizer
      理研-東大-阪大ジョイントセミナー 創発物質科学と未来開拓
    • Place of Presentation
      大阪大学中之島センター
    • Year and Date
      2014-10-16 – 2014-10-17
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 一次元異核遷移金属鎖におけるジラジカル因子と三次非線形光学特性の理論的研究:金属種配列効果2014

    • Author(s)
      高椋 章太, 北河 康隆, 中野 雅由
    • Organizer
      理研-東大-阪大ジョイントセミナー 創発物質科学と未来開拓
    • Place of Presentation
      大阪大学中之島センター
    • Year and Date
      2014-10-16 – 2014-10-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] 開殻一重項ジラジカル性を有するジアリールエテン誘導体の三次非線形光学物性スイッチングに関する理論研究2014

    • Author(s)
      奥野 克樹, 重田 育照, 岸 亮平, 中野 雅由
    • Organizer
      2014年光化学討論会
    • Place of Presentation
      北海道大学札幌キャンパス
    • Year and Date
      2014-10-11 – 2014-10-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] Nonlinear Optical Properties of Open-Shell Molecular Systems: Open-Shell Singlet Molecules and Molecular Aggregates2014

    • Author(s)
      Masayoshi Nakano, Kyohei Yoneda, Kotaro Fukuda, Hiroshi Matsui, Shota Takamuku, Yuta Hirosaki, Ryohei Kishi, Beno?t Champagne
    • Organizer
      10th Congress of the World Association of Theoretical and Computational Chemists
    • Place of Presentation
      Santiago, Chile
    • Year and Date
      2014-10-05 – 2014-10-10
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 一次元フェナレニルラジカル分子集合系における三次非線形光学物性の荷電状態依存性に関する理論的研究2014

    • Author(s)
      米田 京平, 福田 幸太郎, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] テトラセン二量体のシングレットフィッションにおける二電子励起状態に関する振電相互作用の研究2014

    • Author(s)
      伊藤 聡一, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 五員環を含む縮環共役分子系の開殻性と第二超分極率に関する理論的研究2014

    • Author(s)
      福田 幸太郎, 廣崎 裕多, 米田 京平, Champagne Beno?t, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 開殻分子からなる多層型分子集合体の光応答特性についての理論研究2014

    • Author(s)
      岸 亮平, 森田 啓介, 米田 京平, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 異核遷移金属鎖における一重項開殻性と三次非線形光学特性の理論研究:金属種配列効果について2014

    • Author(s)
      高椋 章太, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 1,3-ジラジカル骨格を持つ開殻分子系の基底・励起状態電子構造と光学応答特性に対する置換基導入効果の理論研究2014

    • Author(s)
      齋藤 真和, 岸 亮平, 森田 啓介, 安倍 学, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 非対称開殻一重項分子系の動的第二超分極率についての理論研究2014

    • Author(s)
      中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 6員環状1,4-ジラジカル骨格を持つ開殻分子系の構造と光応答特性の理論研究2014

    • Author(s)
      森田 啓介, 岸 亮平, 池田 浩, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島, ポスター, 広島大学東広島キャンパス, 9月21-23日
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] 高周期典型元素を含むエチレン、アセチレン類似体の開殻性と非線形光学物性に関する理論的研究2014

    • Author(s)
      廣崎 裕多, 福田 幸太郎, 松井 啓史, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島,
    • Place of Presentation
      広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-23
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study on dynamic second hyperpolarizabilities of open-shell diradical system2014

    • Author(s)
      Masayoshi Nakano
    • Organizer
      Seminar at the University of Namur, Seminar
    • Place of Presentation
      The University of Namur, Namur, Belgium
    • Year and Date
      2014-09-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] Intramolecular charge transfer effects on the diradical character and the second hyperpolarizabilities of open-shell singlet donor-π-donor systems2014

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      Seminar at the University of Namur, Seminar,
    • Place of Presentation
      The University of Namur, Namur, Belgium,
    • Year and Date
      2014-09-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] Relationship between diradical character and second hyperpolarizability of cyclic thiazyl radical dimers2014

    • Author(s)
      Hiroshi Matsui, Masayoshi Nakano
    • Organizer
      Seminar at the University of Namur, Seminar
    • Place of Presentation
      The University of Namur, Namur, Belgium
    • Year and Date
      2014-09-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] Molecular vibrations induce efficient singlet fission in tetracene/pentacene dimers2014

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      Seminar at the University of Namur, Seminar
    • Place of Presentation
      The University of Namur, Namur, Belgium
    • Year and Date
      2014-09-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study on nonlinear optical properties in open-shell singlet molecular systems2014

    • Author(s)
      Masayoshi Nakano, Benoit Champagne
    • Organizer
      16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVI) 2014
    • Place of Presentation
      Domaine Ol Fosse d’Outh, Houffalize, Belgium
    • Year and Date
      2014-09-10 – 2014-09-13
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Theoretical investigation of the symmetric intramolecular charge transfer effects on the diradical character and second hyperpolarizabilities2014

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVI) 2014
    • Place of Presentation
      Domaine Ol Fosse d’Outh, Houffalize, Belgium
    • Year and Date
      2014-09-10 – 2014-09-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] Relationship between diradical character and second hyperpolarizability of cyclic thiazyl radical dimer2014

    • Author(s)
      Hiroshi Matsui, Shota Takamuku, Kotaro Fukuda, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVI) 2014
    • Place of Presentation
      Domaine Ol Fosse d’Outh, Houffalize, Belgium
    • Year and Date
      2014-09-10 – 2014-09-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] Energy crossing between excited states through inter/intramolecular motions in tetracene and pentacene dimers in singlet fission2014

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVI) 2014
    • Place of Presentation
      Domaine Ol Fosse d’Outh, Houffalize, Belgium,
    • Year and Date
      2014-09-10 – 2014-09-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] Singlet fission in tetracene: Energy crossing between singly and doubly excited states in tetracene dimer2014

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      Singlet Fission Workshop 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Nonlinear Optical Properties of Open-Shell Singlet π-Conjugated Systems Involving Antiaromatic Rings2014

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      ICSM 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on Nonlinear Optical Properties of Open-Shell Molecular Aggregates Composed of Phenalenyl Radicals2014

    • Author(s)
      Kyohei Yoneda, Masayoshi Nakano, Kotaro Fukuda, Hiroshi Matsui, Shota Takamuku, Yuta Hirosaki, Takashi Kubo, Kenji Kamada, and Beno?t Champagne
    • Organizer
      ICSM 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study of intermolecular interaction effects on third-order nonlinear optical properties of base pairs in DNA2014

    • Author(s)
      Shota Takamuku, Hiroshi Matsui, Kotaro Fukuda, Kyohei Yoneda, Masayoshi Nakano
    • Organizer
      ICSM 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Relationship between Diradical Characters and Second Hyperpolarizabilities of Cyclic Thiazyl Radical Dimers2014

    • Author(s)
      Hiroshi Matsui, Shota Takamuku, Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      ICSM 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Singlet fission in tetracene dimer: Energy crossing between singly and doubly excited states2014

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      ICSM 2014
    • Place of Presentation
      LOGOMO, Turku, Finland
    • Year and Date
      2014-07-01 – 2014-07-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Open-Shell Electronic Molecule: A New Family of Two-Photon Absorption Materials2014

    • Author(s)
      Kenji Kamada
    • Organizer
      The 10th Korea-Japan Symposium on Frontier Photoscience -2014 (KJFP2014)
    • Place of Presentation
      Seaoul, South Korea
    • Year and Date
      2014-06-21 – 2014-06-23
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 非線形光学スペクトルと開殻因子の相関についての理論研究2014

    • Author(s)
      中野 雅由, 福田 幸太郎, 松井 啓史, 廣崎 裕多, 岸 亮平
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第3回公開シンポジウム
    • Place of Presentation
      つくば国際会議場
    • Year and Date
      2014-06-16 – 2014-06-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] 1,3-ジラジカル化合物の電子構造-光学応答特性相関の理論研究2014

    • Author(s)
      岸 亮平, 齋藤 真和, 森田 啓介, 安倍 学, 中野 雅由
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第3回公開シンポジウム
    • Place of Presentation
      つくば国際会議場
    • Year and Date
      2014-06-16 – 2014-06-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] 環状チアジルラジカルπダイマーにおけるジラジカル因子と第二超分極率の相関2014

    • Author(s)
      松井 啓史, 福田 幸太郎, 廣崎 裕多, 中野 雅由
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第3回公開シンポジウム
    • Place of Presentation
      つくば国際会議場
    • Year and Date
      2014-06-16 – 2014-06-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] D-π-D性を持つ開殻一重項分子系の開殻性と第二超分極率に関する理論的研究2014

    • Author(s)
      福田 幸太郎, 廣崎 裕多, 高椋 章太, 関口 章, 中野 雅由
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第3回公開シンポジウム
    • Place of Presentation
      つくば国際会議場
    • Year and Date
      2014-06-16 – 2014-06-17
    • Related Report
      2014 Annual Research Report
  • [Presentation] 開殻分子二量体の励起特性の分子配向依存性に関する理論的研究2014

    • Author(s)
      岸 亮平, 森田 啓介, 中野 雅由
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 開殻一重項分子系のジラジカル因子と第二超分極率に対する対称分子内電荷移動の効果2014

    • Author(s)
      福田 幸太郎, 廣崎 裕多, 高椋 章太, 中野 雅由
    • Organizer
      第17回理論化学討論会,
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 異核遷移金属鎖における開殻一重項性と三次非線形光学特性との相関に対する金属種配列効果2014

    • Author(s)
      高椋 章太, 中野 雅由
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] フェナレニルラジカルからなる一次元開殻一重項分子集合系の三次非線形光学効果2014

    • Author(s)
      米田 京平, 福田 幸太郎, 伊藤 聡一, 中野 雅由
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] シングレットフィッション初期過程における分子振動が及ぼす二量体励起状態への効果2014

    • Author(s)
      伊藤 聡一, 中野 雅由
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22 – 2014-05-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 環状チアジルラジカルダイマーにおける開殻性と第二超分極率の相関2014

    • Author(s)
      松井 啓史, 福田 幸太郎, 廣崎 裕多, 高椋 章太, 伊藤 聡一, 中野 雅由
    • Organizer
      第17回理論化学討論会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Year and Date
      2014-05-22
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Study on the Relationship between Diradical Character and Nonlinear Optical Properties in Open-Shell Singlet Molecular Systems2014

    • Author(s)
      Masayoshi Nakano
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      ASTER PLAZA, Hiroshima, Japan
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Theoretical Study on the Diradical Characters and Optical Response Properties of Open-Shell Chemical Species Involving Cyclopentane-1,3-Diradical Structures2014

    • Author(s)
      Ryohei Kishi, Yusuke Murata, Michika Saito, Kotaro Fukuda, Hiroshi Matsui, Shota Takamuku, Manabu Abe, Masayoshi Nakano
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      ASTER PLAZA, Hiroshima, Japan
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] Relationship between Diradical Character and Second Hyperpolarizability of Four-Membered-Ring Compounds Involving Heavy Main Group Elements2014

    • Author(s)
      Hiroshi Matsui, Kotaro Fukuda, Yuta Hirosaki, Shota Takamuku, Masayoshi Nakano
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      ASTER PLAZA, Hiroshima, Japan
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical Investigation of the Symmetric Intramolecular Charge Transfer Effects on the Diradical Character and Second Hyperpolarizability of Open-Shell Singlet Systems2014

    • Author(s)
      Kotaro Fukuda, Yuta Hirosaki, Shota Takamuku, Masayoshi Nakano
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      ASTER PLAZA, Hiroshima, Japan
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] Diradical Character Based Molecular Design for Singlet Fission in Heteroacenes2014

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      ISRIUM 2014
    • Place of Presentation
      ASTER PLAZA, Hiroshima, Japan
    • Year and Date
      2014-04-01 – 2014-04-06
    • Related Report
      2014 Annual Research Report
  • [Presentation] ナイロンオリゴマー分解酵素の酵素基質複合体の相互作用の理論解析2014

    • Author(s)
      安東寛之, 馬場剛史, 重田育照, 渡邉千鶴, 沖山佳生, 望月祐志, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 高周期典型元素を含む開殻一重項縮環共役系のジラジカル性と非線形光学現象に関する理論的研究2014

    • Author(s)
      廣崎裕多, 福田幸太郎, 松井啓史, 高椋章太, 上田幸平, 岸亮平, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] ニトロキシド系ジラジカル分子の構造と光吸収特性に関する理論研究2014

    • Author(s)
      中村亮太, 重田育照, 奥野克樹, 鈴木修一, 小嵜正敏, 岡田惠次, 長谷川美貴, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] シクロペンタン-1,3-ジラジカル化合物の開殻性と非線形光学特性に対するドナー/アクセプター置換基効果の理論研究2014

    • Author(s)
      齋藤真和, 岸亮平, 福田幸太郎, 松井啓史, 高椋章太, 安倍学, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] Donor-π-Donor性を有する開殻一重項分子系のジラジカル因子と第二超分極率に関する理論的研究2014

    • Author(s)
      福田幸太郎, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] ポリアセンの電気伝導と外場応答の相関についての理論2014

    • Author(s)
      竹林拓, 福田幸太郎, 重田育照, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 1,3-ジラジカル型化合物の構造-光学応答特性相関についての理論研究2014

    • Author(s)
      村田裕介, 岸亮平, 齋藤真和, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻一重項分子系の開殻性と電子ダイナミクスの相関についての理論研究2014

    • Author(s)
      森田啓介, 岸亮平, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 対称及び非対称ペリレンオリゴマー誘導体の一重項開殻性に関する理論的研究2014

    • Author(s)
      上田幸平, 福田幸太郎, 廣崎裕多, 高椋章太, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 高周期典型元素を含む四員環化合物の開殻一重項性と第二超分極率の相関2014

    • Author(s)
      松井啓史, 福田幸太郎, 廣崎裕多, 高椋章太, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] アキシアル型配位子を有する開殻一重項二核遷移金属錯体のジラジカル因子と三次非線形光学物性についての理論的研究2014

    • Author(s)
      山田大志, 高椋章太, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 一次元異核遷移金属鎖の一重項開殻性と三次非線形光学物性の相関2014

    • Author(s)
      高椋章太, 山田大志, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻一重項キノイダルオリゴチオフェンの開殻性と三次非線形光学特性についての理論的研究2014

    • Author(s)
      岸亮平, 植中英樹, 村田裕介, 森田啓介, 斎藤真和, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] CAM-B3LYP汎関数の非経験的チューニング法:ジアリールエテン誘導体の励起エネルギー計算への応用2014

    • Author(s)
      奥野克樹, 重田育照, 岸亮平, 中野雅由
    • Organizer
      第11回京都大学福井謙一記念センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
  • [Presentation] A theoretical study of hydration effects on enzyme-substragte complex of nylonoligomer hydrolase by the fragment molecular orbital method2014

    • Author(s)
      Hiroyuki Ando, Yasuteru Shigeta, Takeshi Baba, Chizuru Watanabe, Yuji Mochizuki, Masayoshi Nakano
    • Organizer
      The 54th Sanibel Symposium
    • Place of Presentation
      The King and Prince Golf & Beach Resort on St. Simons Island, Georgia, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical study on absorption properties of nitroxide diradicals2014

    • Author(s)
      Ryota Nakamura, Yasuteru Shigeta, Katsuki Okuno, Ryohei Kishi, Shuichi Suzuki, Masatoshi Kozaki, Keiji Okada, Miki Hasegawa, Masayoshi Nakano
    • Organizer
      The 54th Sanibel Symposium
    • Place of Presentation
      The King and Prince Golf & Beach Resort on St. Simons Island, Georgia, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻一重項分子系の動的第二超分極率についての理論研究2014

    • Author(s)
      中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子内電荷移動を有する対称開殻一重項分子系のジラジカル因子と第二超分極率に関する理論的研究2014

    • Author(s)
      福田 幸太郎, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 環状チアジルラジカルダイマーにおける開殻性と第二超分極率の理論的研究2014

    • Author(s)
      松井 啓史, 福田 幸太郎, 廣崎 裕多, 高椋 章太, 岸 亮平, 重田 育照, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻分子系のジラジカル因子と電子ダイナミクスの相関についての理論研究2014

    • Author(s)
      森田 啓介, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 対称及び非対称共役ペリレンオリゴマー誘導体の一重項開殻性と第二超分極率に関する理論的研究2014

    • Author(s)
      上田 幸平, 福田 幸太郎, 松井 啓史, 廣崎 裕多, 高椋 章太, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻一重項縮環共役系の高周期典型元素置換によるジラジカル因子と非線形光学物性に関する理論的研究2014

    • Author(s)
      廣崎 裕多, 福田 幸太郎, 松井 啓史, 高椋 章太, 上田 幸平, 岸 亮平, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] ヘテロ遷移金属鎖のジラジカル因子と三次非線形光学物性の相関についての理論的研究2014

    • Author(s)
      高椋 章太, 山田 大志, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] Axial型配位子を有する二核遷移金属錯体モデルのジラジカル因子と三次非線形光学物性についての理論的研究2014

    • Author(s)
      山田 大志, 高椋 章太, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] シクロペンタン-1,3-ジラジカル構造を有する開殻性化学種の基底および励起状態電子構造と光学応答特性の相関についての理論研究2014

    • Author(s)
      岸 亮平, 村田 裕介, 齋藤 真和, 福田 幸太郎, 松井 啓史, 高椋 章太, 安倍 学, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] シクロペンタン-1,3-ジラジカル骨格を持つ開殻性化学種の開殻性と非線形光学特性に対するドナー/アクセプター置換基効果の理論研究2014

    • Author(s)
      齋藤 真和, 岸 亮平, 福田 幸太郎, 松井 啓史, 高椋 章太, 安倍 学, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] シングレットフィッションにおける二量体励起状態に対する分子振動効果2014

    • Author(s)
      伊藤 聡一, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 酵素NylB-基質複合体における誘導適合に伴う残基間相互作用エネルギー(IFIE)変化の理論解析2014

    • Author(s)
      安東 寛之, 馬場 剛史, 重田 育照, 渡邉 千鶴, 沖山 佳生, 望月 祐志, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 溶液中での希土類ニトロキシド系ジラジカル錯体の構造に関する理論研究2014

    • Author(s)
      中村 亮太, 重田 育照, 奥野 克樹, 岸 亮平, 鈴木 修一, 小嵜 正敏, 岡田 惠次, 長谷川 美貴, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] ポリアセンの単分子伝導に対するジラジカル性の影響について2014

    • Author(s)
      竹林 拓, 重田 育照, 北河 康隆, 奥村 光隆, 中野 雅由
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] 非平面性ターフェノキノンを組み込んだ新規メカノケミカルポリマーの合成と物性2014

    • Author(s)
      兒玉 拓也, 西内 智彦, 平尾 泰一, 蔵田 浩之, 中野 雅由, 久保 孝史
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学東山キャンパス
    • Related Report
      2013 Annual Research Report
  • [Presentation] キュミュラント変数による変分的自由エネルギー解析22013

    • Author(s)
      重田 育照, 馬場 剛史, 奥野 克樹, 桑原 弘幸, 中村 亮太, 岸 亮平, 中野 雅由
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] ジアリールエテン誘導体の熱的安定性と芳香族性の相関2013

    • Author(s)
      奥野 克樹, 重田 育照, 岸 亮平, 中野 雅由
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 五員環及び六員環からなる二次元環状縮環共役炭化水素の開殻性及び第二超分極率に関する理論的研究2013

    • Author(s)
      福田 幸太郎, Benoit CHAMPAGNE, 信末 俊平, 清水 章弘, 戸部 義人, 中野 雅由
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] オリゴアセンの一電子および二電子励起状態に関する光学特性のサイズ依存性について2013

    • Author(s)
      伊藤 聡一, 松井 啓史, 中野 雅由
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 含典型元素四員環ジラジカル系の開殻一重項性と三次非線形光学物性2013

    • Author(s)
      中野 雅由, 福田 幸太郎, 伊藤 聡一, 松井 啓史, 米田 京平, 岸 亮平, 重田 育照
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 時間依存密度汎関数法に基づく量子マスター方程式法による動的第一超分極率の計算・解析法の開発2013

    • Author(s)
      岸 亮平, 村田 裕介, 重田 育照, 中野 雅由
    • Organizer
      第16回理論化学討論会
    • Place of Presentation
      福岡あいれふ
    • Related Report
      2013 Annual Research Report
  • [Presentation] Nonlinear optical properties of asymmetric open-shell singlet molecular systems2013

    • Author(s)
      Masayoshi Nakano
    • Organizer
      1/2 journee Seminaires Chimie Theoretique, Seminar at ISM
    • Place of Presentation
      University Bordeaux I, France
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Open-shell characters and third-order nonlinear optical properties of graphene2013

    • Author(s)
      Kyohei Yoneda, Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      1/2 journee Seminaires Chimie Theoretique, Seminar at ISM
    • Place of Presentation
      University Bordeaux I, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Structural dependences of the open-shell characters and second hyperpolarizabilities of pi-conjugated fused-ring hydrocarbons2013

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano, Benoit Champagne
    • Organizer
      1/2 journee Seminaires Chimie Theoretique, Seminar at ISM
    • Place of Presentation
      University Bordeaux I, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical study on the electronic structure and third-order NLO properties open-shell quinoidal oligothiophenes2013

    • Author(s)
      Ryohei Kishi, Misha Dennis, Yusuke Murata, Masayoshi Nakano
    • Organizer
      1/2 journee Seminaires Chimie Theoretique, Seminar at ISM
    • Place of Presentation
      University Bordeaux I, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Diradical character based molecular design for efficient singlet fission2013

    • Author(s)
      Soichi Ito, Masayoshi Nakano
    • Organizer
      1/2 journee Seminaires Chimie Theoretique, Seminar at ISM
    • Place of Presentation
      University Bordeaux I, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Second-Order Nonlinear Optical Properties of Asymmetric Open-Shell Singlet π-Conjugated Molecular Systems2013

    • Author(s)
      Masayoshi Nakano, Ryohei Kishi, Kotaro Fukuda, Hiroshi Matsui, Kyohei Yoneda, Shabbir Muhammad, Yasuteru Shigeta, Benoit Champagne
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Diradical Character and Nonlinear Optical Properties of Buckyferrocenes with Conjugated π-Electron and Metal-Metal Spin Correlation2013

    • Author(s)
      Shabbir Muhammad, Masayoshi Nakano
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical Study on Open-Shell Character and Second Hyperpolarizability for Antidot Structures in Graphene Nanoflakes2013

    • Author(s)
      Kyohei Yoneda, Kotaro Fukuda, Masayoshi Nakano
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical study on the optical properties of open-shell molecule conjugated with polycyclic aromatic hydrocarbon chain2013

    • Author(s)
      Yasuteru Shigeta, Tomoya Inui, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical study on the diradical character and third-order nonlinear optical properties of open-shell quinoidal oligothiophenes2013

    • Author(s)
      Ryohei Kishi, Misha Dennis, Yusuke Murata, Masayoshi Nakano
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] Theoretical Study on the Nonlinear Optical Properties of Open-Shell Singlet π-Conjugated Condensed-Ring Systems2013

    • Author(s)
      Kotaro Fukuda, Masayoshi Nakano, Benoit Champagne
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] New Candidates for Singlet Fission with High Triplet Energy2013

    • Author(s)
      Soichi Ito and Masayoshi Nakano
    • Organizer
      11th International Symposium on Functional π-Electron Systems (F-π-11)
    • Place of Presentation
      Arcachon(Bordeaux Area), Aquitaine, France
    • Related Report
      2013 Annual Research Report
  • [Presentation] 感応性化学種の光機能性に向けて2013

    • Author(s)
      鎌田 賢司, 岸 亮平, 中野 雅由, 山本 陽介
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第2回公開シンポジウム
    • Place of Presentation
      九州大学百年記念講堂
    • Related Report
      2013 Annual Research Report
  • [Presentation] 量子化学による開殻因子の評価と光学応答特性との相関:典型元素化合物への応用2013

    • Author(s)
      中野 雅由, 福田 幸太郎, 松井 啓史, 廣崎 裕多, 岸 亮平, 重田 育照, 鎌田 賢司, 山本 陽介
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第2回公開シンポジウム
    • Place of Presentation
      九州大学百年記念講堂
    • Related Report
      2013 Annual Research Report
  • [Presentation] パラおよびメタキノジメタンのラジカルサイトの高周期典型元素置換効果に関する理論的研究2013

    • Author(s)
      福田 幸太郎, 廣崎 裕多, 松井 啓史, 岸 亮平, 野澤 竹史, 一戸 雅聡, 関口 章, 中野 雅由
    • Organizer
      新学術領域「感応性化学種が拓く新物質科学」第2回公開シンポジウム
    • Place of Presentation
      九州大学百年記念講堂
    • Related Report
      2013 Annual Research Report
  • [Presentation] Enhanced two-photon absorption of polycyclic aromatic hydrocarbons with the partial open-shell nature2013

    • Author(s)
      Kenji Kamada
    • Organizer
      International Photochemistry Conference (ICP2013)
    • Place of Presentation
      Leuven, Belgium
    • Related Report
      2013 Annual Research Report
  • [Presentation] Non-empirical tuning scheme of CAM-B3LYP functional in time dependent density functional theory for excitation energies of diarylethene derivatives2013

    • Author(s)
      Katsuki Okuno, Yasuteru Shigeta, Ryohei Kishi, Masayoshi Nakano
    • Organizer
      International Photochemistry Conference (ICP2013)
    • Place of Presentation
      Leuven, Belgium
    • Related Report
      2013 Annual Research Report
  • [Presentation] Relationship between diradical character and nonlinear optical properties in open-shell singlet π-systems2013

    • Author(s)
      Masayoshi Nakano
    • Organizer
      The 15th Asian Chemical Congress (15ACC)
    • Place of Presentation
      Resorts World Sentosa, Singapore
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Nonlinear optical properties of asymmetric diradical molecules2013

    • Author(s)
      Masayoshi Nakano
    • Organizer
      ISTCP-VIII
    • Place of Presentation
      Budapest Congress Center, Budapest, Hungary
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] QM/MM CPMD study on the reaction mechanism of Nylon oligomer Hydrolase2013

    • Author(s)
      Takeshi Baba, Katsumasa Kamiya, Mauro Boero, Masayoshi Nakano, Seiji Negoro, Yasuteru Shigeta
    • Organizer
      CPMD-Meeting Leipzig 2013
    • Place of Presentation
      Leipzig, Germany
    • Related Report
      2013 Annual Research Report
  • [Presentation] 二核遷移金属錯体のジラジカル因子と三次非線形光学物性に対するアキシアル型配位子の効果についての理論的研究2013

    • Author(s)
      山田 大志, 高椋 章太, 福田 幸太郎, 廣崎 裕多, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 高周期典型元素を含むパラ及びメタキノジメタン誘導体の開殻性と第二超分極率に関する理論的研究2013

    • Author(s)
      福田 幸太郎, 廣崎 裕多, 松井 啓史, 岸 亮平, 野澤 竹志, 一戸 雅聡, 関口 章, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻分子系の共鳴光学過程における電子動力学の理論的研究2013

    • Author(s)
      岸 亮平, 森田 啓介, 村田 裕介, 植中 英樹, 重田 育照, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] フェナレニル分子二量体におけるジラジカル因子および三次非線形光学物性に関する理論的研究2013

    • Author(s)
      米田 京平, 福田 幸太郎, 松井 啓史, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 複数のプロトン放出サイトを有する分子の酸解離定数の推定に関する理論的研究2013

    • Author(s)
      馬場 剛史, 松井 亨, 中野 雅由, 重田 育照
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 非対称開殻一重項分子系の二次非線形光学効果のジラジカル因子依存性についての理論研究2013

    • Author(s)
      中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] シクロペンタン-1,3-ジラジカル骨格を持つ開殻性化学種の電子構造と光学応答特性についての理論的研究2013

    • Author(s)
      村田 裕介, 岸 亮平, 森田 啓介, 植中 英樹, 安倍 学, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 高周期典型元素を含む四員環化合物の開殻一重項性と三次非線形光学物性についての理論的研究2013

    • Author(s)
      松井 啓史, 福田 幸太郎, 廣崎 裕多, 岸 亮平, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] 希土類錯体の有機ジラジカル配位子の光吸収特性に関する理論研究2013

    • Author(s)
      中村 亮太, 重田 育照, 奥野 克樹, 岸 亮平, 鈴木 修一, 小嵜 正敏, 岡田 惠次, 長谷川 美貴, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] ヘテロ環化合物酸解離定数の構造-物性相関に関する理論的研究2013

    • Author(s)
      安東 寛之, 馬場 剛史, 奥野 克樹, 重田 育照, 中野 雅由
    • Organizer
      第7回分子科学討論会2013京都
    • Place of Presentation
      京都テルサ
    • Related Report
      2013 Annual Research Report
  • [Presentation] ナイロン分解酵素基質複合体の相互作用の理論解析2013

    • Author(s)
      安東 寛之, 馬場 剛史, 重田 育照, 渡邉 千鶴, 沖山 佳生, 望月 祐志, 中野 雅由
    • Organizer
      第3回CSJ化学フェスタ2013
    • Place of Presentation
      タワーホール船堀
    • Related Report
      2013 Annual Research Report
  • [Presentation] 複数のプロトン化状態をとる分子の酸解離定数(pKa)の計算手法2013

    • Author(s)
      馬場 剛史, 松井 亨, 中野 雅由, 重田 育照
    • Organizer
      第3回CSJ化学フェスタ2013
    • Place of Presentation
      タワーホール船堀
    • Related Report
      2013 Annual Research Report
  • [Presentation] ニトロキシド系二量体化合物の光吸収特性に関する理論研究2013

    • Author(s)
      中村 亮太, 重田 育照, 奥野 克樹, 岸 亮平, 鈴木 修一, 小嵜 正敏, 岡田 惠次, 長谷川 美貴, 中野 雅由
    • Organizer
      第3回CSJ化学フェスタ2013
    • Place of Presentation
      タワーホール船堀
    • Related Report
      2013 Annual Research Report
  • [Presentation] Computational studies of mutational effects on nylon degrading enzyme2013

    • Author(s)
      馬場 剛史, 神谷 克政, 松井 亨, 中野 雅由, 根来 誠司, Mauro Boero, 重田 育照
    • Organizer
      第51回日本生物物理学会年会
    • Place of Presentation
      国立京都国際会館
    • Related Report
      2013 Annual Research Report
  • [Presentation] Two-photon absorption properties of polycyclic aromatic hydrocarbons with singlet diradical character2013

    • Author(s)
      Kenji Kamada
    • Organizer
      2nd International Workshop on Nano and Bio-Photonics (IWNBP2)
    • Place of Presentation
      Biarritz, France
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 開殻分子系に基づく新規光機能物質の理論設計:非線形光学応答と一重項分裂について2013

    • Author(s)
      中野雅由
    • Organizer
      TCCI第3回実験化学との交流シンポジウム
    • Place of Presentation
      京都大学福井謙一記念センター
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Theoretical Study on the Optical Properties of Open-Shell Singlet Molecular Systems2013

    • Author(s)
      Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Statistical mechanics based on cumulant dynamics2013

    • Author(s)
      Yasuteru Shigeta, Takeshi Baba, Hiroyuki Ando, Ryota Nakamura, Taku Takebayashi, Ryohei Kishi, and Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Theoretical study on the electronic structures and optical response properties of one-dimensional open-shell oligomers involving five-membered rings2013

    • Author(s)
      Ryohei Kishi, Hideki Uenaka, Yusuke Murata, Keisuke Morita, Michika Saito, Yasuteru Shigeta, and Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] Diradical character based design for singlet fission in heteroacene molecules2013

    • Author(s)
      Soichi Ito and Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
  • [Presentation] Effect of the donor-π-donor type charge distribution on the second hyperpolarizabilities of open-shell singlet systems – para-quinodimethane with point charge model2013

    • Author(s)
      Kotaro Fukuda and Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
  • [Presentation] Nakano Impact of intermolecular interaction on the second hyperpolarizability of phenalenyl radical dimer2013

    • Author(s)
      Kyohei Yoneda, Kotaro Fukuda, Hiroshi Matsui, Yuta Hirosaki, Shota Takamuku, and Masayoshi Nakano
    • Organizer
      5th JCS International Symposium on Theoretical Chemistry
    • Place of Presentation
      Todai-ji Culture Center, Nara
    • Related Report
      2013 Annual Research Report
  • [Presentation] 開殻分子系の光応答物性の理論2013

    • Author(s)
      中野 雅由
    • Organizer
      第3回量子化学ウインタースクール~基礎理論と分子物性の理論~TCCIウインターカレッジ:量子化学
    • Place of Presentation
      岡崎コンファレンスセンター
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 一次元異核遷移金属鎖のジラジカル因子と三次非線形光学物性の相関についての理論的研究2013

    • Author(s)
      高椋 章太, 山田 大志, 中野 雅由
    • Organizer
      第3回量子化学ウインタースクール~基礎理論と分子物性の理論~TCCIウインターカレッジ:量子化学
    • Place of Presentation
      岡崎コンファレンスセンター
    • Related Report
      2013 Annual Research Report
  • [Book] Chemical Functionalization of Carbon Nanomaterials: Chemistry and Applications. Chap.35 “Quantum Chemical Prospective of Open-Shell Carbon Nanomaterials for Nonlinear Optical Applications”2015

    • Author(s)
      Shabbir Muhammad, Masayoshi Nakano
    • Total Pages
      16
    • Publisher
      Taylor & Francis-CRC Press Publisher
    • Related Report
      2015 Annual Research Report
  • [Book] Excitation Energies and Properties of Open-Shell Singlet Molecules2014

    • Author(s)
      Masayoshi Nakano
    • Total Pages
      121
    • Publisher
      Springer
    • Related Report
      2014 Annual Research Report
  • [Book] 錯体化学選書10 金属錯体の量子・計算化学 (山口 兆, 榊 茂好, 増田 秀樹 編著), 4章 金属錯体の構造,物性,および機能発現, 4-3 線形および非線形応答理論と時間依存および無依存応答量2014

    • Author(s)
      岸 亮平, 中野 雅由
    • Total Pages
      20
    • Publisher
      三共出版
    • Related Report
      2014 Annual Research Report
  • [Book] Chapter 9. COMPUTATIONAL STRATEGIES FOR NONLINEAR OPTICAL PROPERTIES OF CARBON NANO-SYSTEMS Nanoscience and Computational Chemistry: Research Progress (Eds. Andrew G. Mercader, Eduardo A. Castro, A. K. Haghi)2013

    • Author(s)
      Shabbir MUHAMMAD, Masayoshi NAKANO
    • Total Pages
      30
    • Publisher
      CRC Press
    • Related Report
      2013 Annual Research Report
  • [Remarks] 量子化学工学グループ(中野研究室)HP

    • URL

      http://www.cheng.es.osaka-u.ac.jp/nakano/index.html

    • Related Report
      2017 Annual Research Report
  • [Remarks] 量子化学工学グループ(中野研究室)HP

    • URL

      http://www.cheng.es.osaka-u.ac.jp/nakano/labtopics/1105.html

    • Related Report
      2016 Annual Research Report
  • [Remarks] 量子化学工学グループ

    • URL

      http://www.cheng.es.osaka-u.ac.jp/nakano/index.html

    • Related Report
      2015 Annual Research Report
  • [Remarks] 量子化学工学グループ(中野研究室)ホームページ

    • URL

      http://www.cheng.es.osaka-u.ac.jp/nakano/index.html

    • Related Report
      2014 Annual Research Report
  • [Remarks] 中野研究室HP

    • URL

      http://www.cheng.es.osaka-u.ac.jp/nakano/index.html

    • Related Report
      2013 Annual Research Report

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Published: 2013-05-15   Modified: 2022-02-28  

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