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Control of multiple spin exciton states by synergetic studies of theory and experiment

Planned Research

Project AreaApplication of Cooperative-Excitation into Innovative Molecular Systems with High-Order Photo-functions
Project/Area Number 26107004
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionUniversity of Tsukuba

Principal Investigator

Yasuteru Shigeta  筑波大学, 計算科学研究センター, 教授 (80376483)

Co-Investigator(Kenkyū-buntansha) 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)
北河 康隆  大阪大学, 基礎工学研究科, 准教授 (60362612)
岸 亮平  大阪大学, 基礎工学研究科, 助教 (90452408)
Research Collaborator NAKANO Masayoshi  
MIZOKURO Toshiko  
FUJIMOTO Kazuhiro  
Project Period (FY) 2014-07-10 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥76,830,000 (Direct Cost: ¥59,100,000、Indirect Cost: ¥17,730,000)
Fiscal Year 2018: ¥10,920,000 (Direct Cost: ¥8,400,000、Indirect Cost: ¥2,520,000)
Fiscal Year 2017: ¥16,120,000 (Direct Cost: ¥12,400,000、Indirect Cost: ¥3,720,000)
Fiscal Year 2016: ¥15,210,000 (Direct Cost: ¥11,700,000、Indirect Cost: ¥3,510,000)
Fiscal Year 2015: ¥15,080,000 (Direct Cost: ¥11,600,000、Indirect Cost: ¥3,480,000)
Fiscal Year 2014: ¥19,500,000 (Direct Cost: ¥15,000,000、Indirect Cost: ¥4,500,000)
Keywords電子状態計算 / 分子動力学法 / 一重項分裂 / 三重項消光 / エネルギー移動 / 分子動力学計算 / 1重項分裂 / 3重項消光 / 高速分光測定 / 三重項-三重項消光 / 高精度量子化学計算 / 時間分解分光 / 三重項-三重項消滅 / 分子動力法 / 高速分光 / 分子動力学 / 分子軌道法 / 分光測定 / 3重項-3重項消光 / 時間分解分光法 / 電子状態理論
Outline of Final Research Achievements

Recently, the triplet-triplet annihilation (TTA) based photon up-conversion (UC) process has been extensively studied as a possible device that utilizes solar power because TTA-UC generates high-energy photon emission from absorptions of lower energy photons. TTA-UC process is quite complicated. Thus, one should analyze a series of these processes in parallel to deeply understand the mechanism of TTA-UC.
In this study, we analyze the reaction kinetics of TTA and triplet exciton transfer (TTET) by theoretical calculation based on Marcus theory, which is the basic theory of the reaction kinetics of electron transfer, and clarify the reaction mechanisms of TTA-based up-conversion processes both in solution and in solid phases.

Academic Significance and Societal Importance of the Research Achievements

本研究では溶液系に対して9,10ジフェニルアントラセン(DPA)、およびその誘導体Cn-sDPA(n=6-8)のTTA-UC反応量子収率の違いが、(1)溶液内での2分子の距離分布の違い、(2)擬π軌道の非局在化による電子移動速度定数の増大に原因があることを突き止めました。また、固体系においては(3)三重項エネルギー移動の次元性が重要であることを提案した。本成果は今後のTTA-UCの高効率化を達成するための一つの分子設計の指針となるものと考えられる。

Report

(6 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Annual Research Report
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • 2014 Annual Research Report
  • Research Products

    (173 results)

All 2019 2018 2017 2016 2015 2014 Other

All Int'l Joint Research (10 results) Journal Article (76 results) (of which Int'l Joint Research: 25 results,  Peer Reviewed: 76 results,  Open Access: 9 results,  Acknowledgement Compliant: 46 results) Presentation (76 results) (of which Int'l Joint Research: 36 results,  Invited: 63 results) Book (5 results) Remarks (2 results) Patent(Industrial Property Rights) (3 results) Funded Workshop (1 results)

  • [Int'l Joint Research] Universidade de Sao Paulo(ブラジル)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Universite degli Studi di Milano/CNR-ISTM/Politecnico di Milano(イタリア)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Ulsan NIST/Ewha Womans University/Pusan National University(韓国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Zheijiang University(中国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] CNRS(フランス)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] Laboratoire de Chimie, ENS de Lyon/Institut des Sciences Chimiques, CNRS(France)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Polish Academy of Sciences(Poland)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] University of Alberta(Canada)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Universita degli Studi di Milano/UdR di Milano dell’INSTM/CNR(イタリア)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] Max Planck Institute/University of Hamburg(ドイツ)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Quadruply N-methylated octaphyrin: a helical macrocycle exhibiting chiroptical properties and dynamic conformation changes correlated with helical and inner N-methyl orientations2019

    • Author(s)
      Naito Wakana、Urakawa Kazuki、Sato Ryuma、Shigeta Yasuteru、Yasuda Nobuhiro、Maeda Hiromitsu
    • Journal Title

      Organic & Biomolecular Chemistry

      Volume: 17 Issue: 5 Pages: 1163-1168

    • DOI

      10.1039/c8ob03161d

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photosubstitution Reaction of cis-[Ru(bpy)2(CH3CN)2]2+ and cis-[Ru(bpy)2(NH3)2]2+ in Aqueous Solution via Monoaqua Intermediate2019

    • Author(s)
      Kayanuma Megumi、Shoji Mitsuo、Shigeta Yasuteru
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 123 Issue: 13 Pages: 2497-2502

    • DOI

      10.1021/acs.jpca.8b11399

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Bromo-and chloro-derivatives of dibenzylideneacetone: Experimental and theoretical study of the first molecular hyperpolarizability and two-photon absorption2019

    • Author(s)
      Santos Francisco A.、Abegao Luis M.G.、Fonseca Ruben D.、Alcantara Aline M.、Mendonca Cleber R.、Valle Marcelo S.、Alencar M.A.R.C.、Kamada Kenji、De Boni Leonardo、Rodrigues J.J.
    • Journal Title

      Journal of Photochemistry and Photobiology A: Chemistry

      Volume: 369 Pages: 70-76

    • DOI

      10.1016/j.jphotochem.2018.10.012

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Pluripotent Features of Doubly Thiophene‐Fused Benzodiphospholes as Organic Functional Materials2019

    • Author(s)
      Higashino Tomohiro、Ishida Keiichi、Sakurai Tsuneaki、Seki Shu、Konishi Tatsuki、Kamada Kenji、Kamada Kenji、Imahori Hiroshi
    • Journal Title

      Chemistry - A European Journal

      Volume: 印刷中 Issue: 25 Pages: 6425-6438

    • DOI

      10.1002/chem.201900661

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Perylenetetracarboxy-3,4:9,10-diimide derivatives with large two-photon absorption activity2019

    • Author(s)
      Garoni Eleonora、Nisic Filippo、Colombo Alessia、Fantacci Simona、Griffini Gianmarco、Kamada Kenji、Roberto Dominique、Dragonetti Claudia
    • Journal Title

      New Journal of Chemistry

      Volume: 43 Issue: 4 Pages: 1885-1893

    • DOI

      10.1039/c8nj03216e

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Synergetic Effects of Triplet?Triplet Annihilation and Directional Triplet Exciton Migration in Organic Crystals for Photon Upconversion2018

    • Author(s)
      Sato Ryuma、Kitoh-Nishioka Hirotaka、Kamada Kenji、Mizokuro Toshiko、Kobayashi Kenji、Shigeta Yasuteru
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 9 Issue: 22 Pages: 6638-6643

    • DOI

      10.1021/acs.jpclett.8b02887

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Coulomb and CH-π interactions in (6-4) photolyase-DNA complex dominate DNA binding and repair abilities2018

    • Author(s)
      Terai Yuma、Sato Ryuma、Yumiba Takahiro、Harada Ryuhei、Shimizu Kohei、Toga Tatsuya、Ishikawa-Fujiwara Tomoko、Todo Takeshi、Iwai Shigenori、Shigeta Yasuteru、Yamamoto Junpei
    • Journal Title

      Nucleic Acids Research

      Volume: 46 Issue: 13 Pages: 6761-6772

    • DOI

      10.1093/nar/gky364

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Novel Techniques for Observing Structural Dynamics of Photoresponsive Liquid Crystals2018

    • Author(s)
      Masaki Hada, Shohei Saito, Ryuma Sato, Yasuhiko Hayashi, Yasuteru Shigeta, Ken Onda
    • Journal Title

      Journal of Visualized Experiments

      Volume: 135 Issue: 135

    • DOI

      10.3791/57612

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [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
      2018 Annual Research Report 2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Enhanced phosphorescence properties of Pt-porphyrin derivative fixed on the surface of nano-porous glass2018

    • Author(s)
      Toshiko Mizokuro, Aizitiaili Abulikemu, Yusuke Sakagami, Tetsuro Jin, Kenji Kamada
    • Journal Title

      Photochemical & Photobiological Sciences

      Volume: 17 Issue: 5 Pages: 622-627

    • DOI

      10.1039/c7pp00449d

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Strong Nonlinear Optical Response in the Visible Spectral Range with Epsilon-Near-Zero Organic Thin Films2018

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

      Advanced Optical Materials

      Volume: 6 Issue: 14 Pages: 1701400-1701400

    • DOI

      10.1002/adom.201701400

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [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] 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] The binding structure and affinity of photodamaged duplex DNA with members of the photolyase/cryptochrome family: A computational study2018

    • Author(s)
      R. Sato, R. Harada, Y. Shigeta
    • Journal Title

      Biophysics and Physicobiology

      Volume: 15 Issue: 0 Pages: 18-27

    • DOI

      10.2142/biophysico.15.0_18

    • NAID

      130006316166

    • ISSN
      2189-4779
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Efficient Cycloreversion Reaction of a Diarylethene Derivative in Higher Excited States Attained by Off-Resonant Simultaneous Two-Photon Absorption2017

    • Author(s)
      Sotome Hikaru、Nagasaka Tatsuhiro、Une Kanako、Okui Chiaki、Ishibashi Yukihide、Kamada Kenji、Kobatake Seiya、Irie Masahiro、Miyasaka Hiroshi
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 8 Issue: 14 Pages: 3272-3276

    • DOI

      10.1021/acs.jpclett.7b01388

    • 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] Cooperatively Interlocked [2+1]-Type π-System-Anion Complexes2017

    • Author(s)
      Yamakado, R.; Ashida, Y.; Sato, R.; Shigeta, Y.; Yasuda, N.; Maeda, H.
    • Journal Title

      Chem. Eur. J.

      Volume: 23 Issue: 17 Pages: 4160-4168

    • DOI

      10.1002/chem.201605765

    • Related Report
      2017 Annual Research Report 2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Triplet-triplet Annihilation Process of 9,10-diphenylanthracene in solution2017

    • Author(s)
      R. Sato, H. Kioth-Nishioka, T. Yanai, Y. Shigeta
    • Journal Title

      Chem. Lett.

      Volume: 印刷中 Issue: 6 Pages: 873-875

    • DOI

      10.1246/cl.170161

    • NAID

      130005689352

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Direct Observation of the Ultrafast Evolution of Open-Shell Biradical in Photochromic Radical Dimer2017

    • Author(s)
      Yoichi Kobayashi, Hajime Okajima, Hikaru Sotome, Takeshi Yanai, Katsuya Mutoh, Yusuke Yoneda, Yasuteru Shigeta, Akira Sakamoto, Hiroshi Miyasaka, and Jiro Abe
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 139 Issue: 18 Pages: 6382-6389

    • DOI

      10.1021/jacs.7b01598

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on relationship between spin structure and electron conductivity of one-dimensional tri-nickel (II) complex2017

    • Author(s)
      Yasutaka Kitagawa, Mizuki Asaoka, Yoshiki Natori, Koji Miyagi, Rena Teramoto, Toru Matsui, Yasuteru Shigeta, Mitsutaka Okumura, Masayoshi Nakano
    • Journal Title

      Polyhedron

      Volume: 印刷中 Pages: 125-131

    • DOI

      10.1016/j.poly.2017.02.020

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Phototransformative Supramolecular Assembly of Amphiphilic Diarylethenes Realized by the Combination of Photochromism and Lower Critical Solution Temperature Behavior2017

    • Author(s)
      H. Yotsuji, K. Higashiguchi, R. Sato, Y. Shigeta, K. Matsuda
    • Journal Title

      Chem.-Eur. J.

      Volume: 23 Issue: 60 Pages: 15059-15066

    • DOI

      10.1002/chem.201702202

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins2017

    • Author(s)
      Harada Ryuhei、Shigeta Yasuteru
    • Journal Title

      Journal of Computational Chemistry

      Volume: 38 Issue: 31 Pages: 2671-2674

    • DOI

      10.1002/jcc.25060

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes2017

    • Author(s)
      Sasano, Y.; Sato, R.; Shigeta, Y.; Yasuda, N.; Maeda, H.
    • Journal Title

      J. Org. Chem.

      Volume: 82 Issue: 20 Pages: 11166-11172

    • DOI

      10.1021/acs.joc.7b02185

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structural monitoring of the onset of excited-state aromaticity in a liquid crystal phase2017

    • Author(s)
      M. Hada, S. Saito, S. Tanaka, R. Sato, M. Yoshimura, K. Mouri, K. Matsuo, M. Hara, Y. Hayashi, Y. Shigeta, S. Yamaguchi, K. Onda, R. J. Dwayne Miller
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 139 Pages: 15792-15800

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Theoretical Analyses on Triplet-triplet Annihilation Process of 9,10-diphenylanthracene in solution2017

    • Author(s)
      R. Sato, H. Kitoh-Nishioka, T. Yanai, Y. Shigeta
    • Journal Title

      Chem. Lett.

      Volume: ー

    • NAID

      130005689352

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Efficient conformational search based on Structural Dissimilarity Sampling: Applications to reproductions of structural transitions on Maltodextrin Binding Protein2017

    • Author(s)
      R. Harada, Y. Shigeta
    • Journal Title

      J. Chem. Theoret. Comp.

      Volume: 13 Issue: 3 Pages: 1411-1423

    • DOI

      10.1021/acs.jctc.6b01112

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Efficient triplet-triplet annihilation upconversion in binary crystalline solids fabricated by solution casting and operated in air2017

    • Author(s)
      K. Kamada, Y. Sakagami, T. Mizokuro, Y. Fujiwara, K. Kobayashi, K. Narushima, S. Hirata, and M. Vacha,
    • Journal Title

      Mater. Horiz.

      Volume: 4 Issue: 1 Pages: 83-87

    • DOI

      10.1039/c6mh00413j

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / 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] 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] 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
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Singlet Fission in Pancake-Bonded Systems2017

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

      Phys. Chem. Chem. Phys.

      Volume: 19 Issue: 8 Pages: 5737-5745

    • DOI

      10.1039/c6cp07641f

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [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] A simple zinc(II) complex that features multi‐functional luminochromism induced by reversible ligand dissociation2017

    • Author(s)
      Takamasa Tsukamoto, Risa Aoki, Ryota Sakamoto, Ryojun Toyoda, Masaki Shimada, Yohei Hattori, Mizuki Asaoka, Yasutaka Kitagawa, Eiji Nishibori, Masayoshi Nakano, Hiroshi Nishihara
    • Journal Title

      Chem. Commun.

      Volume: 53 Issue: 26 Pages: 3657-3660

    • DOI

      10.1039/c6cc10190a

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Origin of solvent-independent optical property of unsubstituted BODIPY revisited2017

    • Author(s)
      M. Asaoka, Y. Kitagawa, R. Teramoto, K. Miyagi, Y. Natori, M. Nakano
    • Journal Title

      Chem Lett.

      Volume: 46 Issue: 4 Pages: 536-538

    • DOI

      10.1246/cl.170024

    • NAID

      130005549065

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical study on S1 and T1 states of homoleptic bis(dipyrrinato)zinc(II) model complex2017

    • Author(s)
      M. Asaoka, Y. Kitagawa, R. Teramoto, K. Miyagi, Y. Natori, R. Sakamoto, H. Nishihara, M. Nakano
    • Journal Title

      Polyhedron

      Volume: ー Pages: 113-116

    • DOI

      10.1016/j.poly.2017.01.058

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Theoretical analyses on a flipping mechanism of UV-induced DNA damage2016

    • Author(s)
      R. Sato, R. Harada, Y. Shigeta
    • Journal Title

      Biophys. Physicobio.

      Volume: 13 Issue: 0 Pages: 311-319

    • DOI

      10.2142/biophysico.13.0_311

    • NAID

      130005433879

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Refractive Indices of Organo-Metallic and -Metalloid Compounds: A Long-Range Corrected DFT Study2016

    • Author(s)
      S. Maekawa, M. Krzysztof, Y. Shigeta
    • Journal Title

      J. Chem. Comp.

      Volume: 37 Issue: 32 Pages: 2759-2769

    • DOI

      10.1002/jcc.24501

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Ion-Pairing Crystal Polymorphs of Interlocked [2+1]-type Receptor-Anion Complexes2016

    • Author(s)
      R. Yamakado, S. Sato, Y. Shigeta, H. Maeda
    • Journal Title

      J. Org. Chem.

      Volume: 81 Issue: 18 Pages: 8530-8536

    • DOI

      10.1021/acs.joc.6b01688

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] A Fast Convergent Simulated Annealing Algorithm: Simulated Annealing Outlier FLOODing (SA-OFLOOD) Method2016

    • Author(s)
      R. Harada, T. Nakamura, Y. Shigeta
    • Journal Title

      Bull. Chem. Soc. Jpn.

      Volume: 89 Issue: 11 Pages: 1361-1367

    • DOI

      10.1246/bcsj.20160244

    • NAID

      130005316155

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Doubly N-Methylated Porphyrinoids2016

    • Author(s)
      Wakana Naito, Nobuhiro Yasuda, Tatsuki Morimoto, Yasuteru Shigeta, Hikaru Takaya, Ichiro Hisaki, Hiromitsu Maeda
    • Journal Title

      Org. Lett.

      Volume: 18 Issue: 12 Pages: 3006-3009

    • DOI

      10.1021/acs.orglett.6b01377

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

    • Author(s)
      K. Kamada, K. Satoh, Y. Tanaka,
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55

    • Related Report
      2016 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
      2016 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
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Diradical Character Based Design for Singlet Fission of Bisanthene Derivatives: Aromatic-Ring Attachment and π-Plane Twisting2016

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

      J. Phys. Chem. Lett.

      Volume: 7 Issue: 19 Pages: 3925-3930

    • DOI

      10.1021/acs.jpclett.6b01885

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Design Principles of Electronic Couplings for Intramolecular Singlet Fission in Covalently-linked Systems2016

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

      J. Phys. Chem. A

      Volume: 120 Issue: 31 Pages: 6236-6241

    • DOI

      10.1021/acs.jpca.6b07153

    • 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] Sparsity-weighted Outlier FLOODing (OFLOOD) method: Efficient rare event sampling method using sparsity of distribution2016

    • Author(s)
      R. Harada, T. Nakamura, Y. Shigeta
    • Journal Title

      J. Comp. Chem.

      Volume: 37 Issue: 8 Pages: 724-728

    • DOI

      10.1002/jcc.24255

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Solvent effects on excited-state electron-transfer rate of pyrene-labeled deoxyuridine: a theoretical study2016

    • Author(s)
      S. Maekawa, R. Sato, K. Hirao, Y. Shigeta
    • Journal Title

      Chem. Phys. Lett.

      Volume: 644 Pages: 25-30

    • DOI

      10.1016/j.cplett.2015.11.037

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Design and synthesis of a new chromophore, 2-(4-nitrophenyl)benzofuran, for two-photon uncaging using near-IR light2016

    • Author(s)
      Komori, N.; Jakkampudi, S.; Motoishi, R.; Abe, M.; Kamada, K.; Furukawa, K.; Katan, C.; Sawada, W.; Takahashi, N.; Kasai, H.; Xue, B.; Kobayashi, T.
    • Journal Title

      Chemical Communications

      Volume: 52 Issue: 2 Pages: 331-334

    • DOI

      10.1039/c5cc07664a

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [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] 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] 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] 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] Nonlinear optical properties in open-shell molecular systems2016

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

      WIREs Comput. Mol. Sci.

      Volume: 6 Issue: 2 Pages: 198-210

    • DOI

      10.1002/wcms.1253

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / 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] 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] Automatic Detection of Hidden Dimension in OFLOOD Method2015

    • Author(s)
      Ryuhei Harada, Tomotake Nakamura, Yasuteru Shigeta
    • Journal Title

      Chemical Physics Letters

      Volume: 639 Pages: 269-274

    • DOI

      10.1016/j.cplett.2015.09.031

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Enhanced conformational sampling method for proteins based on the TaBoo SeArch (TBSA) algorithm: Application to the folding of a mini-protein, chignolin2015

    • Author(s)
      Ryuhei Harada, Yu Takano, Yasuteru Shigeta
    • Journal Title

      Journal of Computational Chemistry

      Volume: 36 Issue: 10 Pages: 763-772

    • DOI

      10.1002/jcc.23854

    • Related Report
      2015 Annual Research Report 2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Generation of amplified spontaneous emission from rare-earth complexes dispersed in phenol + AOT self-assembled organogels2015

    • Author(s)
      Nishiyama, K.; Watanabe, Y.; Harada, T.; Kamada, K.; Kawai
    • Journal Title

      Journal of Molecular Liquids

      Volume: 205 Pages: 93-97

    • DOI

      10.1016/j.molliq.2014.05.020

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DFT and TD-DFT studies of electronic structures and one-electron excitation states of a cyanide-bridged molecular square complex2015

    • Author(s)
      Yasutaka Kitagawa, Mizuki Asaoka, Koji Miyagi, Toru Matsui, Masayuki Nihei, Hiroshi Oshio, Mitsutaka Okumura, Masayoshi Nakan
    • Journal Title

      Inorganic Chemistry Frontiers

      Volume: 2 Issue: 8 Pages: 771-779

    • DOI

      10.1039/c5qi00091b

    • 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] 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] Simple, yet powerful methodologies for conformational sampling of proteins2015

    • Author(s)
      Ryuhei Harada, Yu Takano, Takeshi Baba, Yasuteru Shigeta
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 17 Issue: 9 Pages: 6155-6173

    • DOI

      10.1039/c4cp05262e

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Unraveling the degradation of artificial amide bonds in Nylon oligomer hydrolase: From induced-fit to acylation processes2015

    • Author(s)
      Takeshi Baba, Mauro Boero, Katsumasa Kamiya, Hiroyuki Ando, Seiji Negoro, Masayoshi Nakano, Yasuteru Shigeta
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 6 Pages: 4492-4504

    • DOI

      10.1039/c4cp04419c

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Protein folding pathways extracted by OFLOOD: Outlier FLOODing method2015

    • Author(s)
      Ryuhei Harada, Tomotake Nakamura, Yu Takano, Yasuteru Shigeta
    • Journal Title

      Journal of Computational Chemistry

      Volume: 36 Issue: 2 Pages: 97-102

    • DOI

      10.1002/jcc.23773

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Quantal cumulant dynamics for real-time simulations of quantum many-body systems2015

    • Author(s)
      Y. Shigeta, H. Harada, M. Kayanuma, M. Shoji
    • Journal Title

      Int. J. Quantum Chem.

      Volume: 115 Issue: 5 Pages: 300-308

    • DOI

      10.1002/qua.24820

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH2015

    • Author(s)
      T. Matsui, Y. Kitagawa, M. Okumura, Y. Shigeta
    • Journal Title

      J. Phys. Chem. A

      Volume: 119 Issue: 2 Pages: 369-376

    • DOI

      10.1021/jp508308y

    • Related Report
      2014 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
      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] 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] 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
      2014 Annual Research Report
    • Peer Reviewed
  • [Presentation] Theoretical Studies on Triplet-Triplet Annihilation Up-conversion Processes in Solution and Solid Phases2019

    • Author(s)
      Yasuteru Shigeta
    • Organizer
      Theoretical Chemistry Symposium 2019
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Insight into Triplet-Triplet Annihilation Up-conversion Processes in Solution and Solid Phases2019

    • Author(s)
      Yasuteru Shigeta
    • Organizer
      International Workshop of Photofunctional Materials Using Spin Degrees of Freedom: Interplay among synthesis, measurement, and theory.
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Solid-state photon upconversion via triplet-triplet annihilation by solution casting2019

    • Author(s)
      Kenji Kamada
    • Organizer
      International Workshop on Photofunctional Materials Using Spin Degrees of Freedom: Interplay among synthesis, measurement, and theory
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Triplet-Triplet Annihilation Up-conversion Processes of 9,10-diphenylanthracene in solution and solid phases2018

    • Author(s)
      Yasuteru Shigeta
    • Organizer
      10th Asian Photochemistry Conference
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Nonlinear absorption of molecules in nanometer scale confinement2018

    • Author(s)
      Kenji Kamada
    • Organizer
      ICNP2018 (11th International Conference on Nanophotonics)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Solid-state photon-upconversion at the sunlight-level intensity based on triplet-triplet annihilation2018

    • Author(s)
      Aizitiaili Abulikemu, Toshiko Mizokuro, Kenji Kamada
    • Organizer
      The Sino-US Symposium on Frontiers of Chemistry
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] πExpanded Dipyrrolonaphthyridinediones with Large Two Photon Absorption CrossSection Values2018

    • Author(s)
      Daniel T Gryko , Bartlomiej Sadowsk, Marek Grzybowski, Kenji Kamada
    • Organizer
      2018 MRS Spring Meeting
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] GaN as standard material for two-photon absorption measurement by Z-scan technique at visible wavelengths2018

    • Author(s)
      Kenji Kamada
    • Organizer
      2018 MRS Spring Meeting
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 3重項消光アップコンバージョンの理論解析と物質設計2018

    • Author(s)
      重田育照
    • Organizer
      スーパーコンピューターワークショップ「機能性材料設計への最新の計算科学アプローチ」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] キャスト法による固体系高効率光アップコンバージョン2018

    • Author(s)
      鎌田 賢司
    • Organizer
      第1回プレ戦略会議「次世代物質・デバイス戦略開発拠点」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 光ディスクを目指したナノ秒パルス高速光記録材料2018

    • Author(s)
      鎌田 賢司, 佐藤 数行, 田中 義人
    • Organizer
      日本オプトメカトロニクス協会「光部品生産技術部会」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 分子系の非線形光学過程 ー 非線形分極から多光子吸収まで2018

    • Author(s)
      鎌田 賢司
    • Organizer
      早稲田大学先進理工学部セミナー
    • Related Report
      2017 Annual Research Report
    • Invited
  • [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(神奈川県・横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Synergetic Study between Computation and Experiment on Two-Photon Absorption of Open-Shell Molecular Species2017

    • Author(s)
      鎌田賢司
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      マカオ・中国
    • 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)
      T. Nagami, S. Ito, T. Kubo, M. Nakano
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      マカオ・中国
    • 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)
      M. Nakano, R. Kishi, K. Fukuda, S. Ito, H. Matsui, S. Takamuku, T. Nagami, Y. Minamida, N. Matsushita, J. Fujiyoshi, K. Yoneda, Y. Kitagawa, M. de Wergifosse, B. Champagne
    • Organizer
      The 10th International Conference on Computational Physics (ICCP10)
    • Place of Presentation
      マカオ・中国
    • Year and Date
      2017-01-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Triplet-triplet Annihilation Processes of 9,10-diphenylanthracene in solution2017

    • Author(s)
      R. Sato, H. Kitoh-Nishioka, Y. Shigeta
    • Organizer
      The 9th Conference of Asian Consortium of Computational Materials Science
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Analyses on Triplet-triplet Annihilation Processes of 9,10- diphenylanthracene and derivatives in solution2017

    • Author(s)
      Y. Shigeta
    • Organizer
      8th Asia-Pacific Conference of Theoretical and Computational Chemistry
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] キャスト法による固体結晶系の低励起光強度光アップコンバージョン2017

    • Author(s)
      鎌田 賢司
    • Organizer
      東北大学多元物質科学研究所高分子・ハイブリッド材料研究センターシンポジウム
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Photon upconversion in crystalline solids at sunlight level excitation2017

    • Author(s)
      阪上 裕介, Aizitiaili Abulikemu, 溝黒 登志子, 鎌田 賢司
    • Organizer
      4th International Workshop on Nano and Bio-Photonics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Studies on Refractive Indices of Organo-metallic and -metalloids2016

    • Author(s)
      S. Maekawa, K. Moorthi, Y. Shigeta
    • Organizer
      9th Asian Photochemistry Conference 2016
    • Place of Presentation
      シンガポール・シンガポール
    • Year and Date
      2016-12-04
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Two-photon absorption of π-extended chromophore in confined geometry2016

    • Author(s)
      鎌田 賢司, 小林 健二
    • Organizer
      14th International Conference on the Frontiers of Polymers and Advanced Materials
    • Place of Presentation
      デジョン・韓国
    • Year and Date
      2016-10-30
    • 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
      京都大学福井謙一記念研究センター(京都府・京都市)
    • Year and Date
      2016-10-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Cumulant Mechanics for Quantum and Statistical Physics2016

    • Author(s)
      重田育照
    • Organizer
      The 4th International Conference on Molecular Simulation (ICMS)
    • Place of Presentation
      上海・中国
    • Year and Date
      2016-10-23
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Integrated approach toward rational design of enzyme2016

    • Author(s)
      重田育照
    • Organizer
      2nd Japan-Thai workshop on theoretical and computational chemistry
    • Place of Presentation
      横浜市立大(神奈川県、横浜市)
    • Year and Date
      2016-09-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Photon upconversion with binary solid toward the sunlight level excitation2016

    • Author(s)
      溝黒 登志子, 鎌田 賢司
    • Organizer
      Fifth International Workshop on Advanced Nano- and Biomaterials and Their Device Applications (NABM5)
    • Place of Presentation
      コンスタンタ・ルーマニア
    • Year and Date
      2016-09-21
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT Study on Electronic Structure and Magnetic Interaction of Multibistable Cyanide-Bridged Iron-Cobalt Square Complex2016

    • Author(s)
      Y. Kitagawa, M. Asaoka, K. Miyagi, R. Teramoto, M. Nakano
    • Organizer
      Osaka City University International Conference in 2016 (OCUIC-2016) on Molecular Spins and Quantum Technology
    • 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] Simple conformational search methods for understanding biological functions2016

    • Author(s)
      重田育照
    • Organizer
      Shanghai Workshop on Frontiers in Molecular Biophysics
    • Place of Presentation
      上海・中国
    • Year and Date
      2016-07-23
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical study on f-π magnetic interaction in neutral terbium(III) phthalocyanine (Pc) double-decker complex.2016

    • Author(s)
      Y. Kitagawa, M. Asaoka, R. Nishikubo, K. Miyagi, K. Katoh, M. Yamashita, M. Nakano
    • Organizer
      International Conference on Coordination Chemistry
    • Place of Presentation
      ブレ・フランス
    • Year and Date
      2016-07-03
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] A consistent scheme for accurately estimating acid dissociation constant (pKa) and redox potential2016

    • Author(s)
      重田育照
    • Organizer
      4th Changsha Workshop on Theoretical and Computational Chemistry 2016
    • Place of Presentation
      湖南・中国
    • Year and Date
      2016-06-10
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Singlet diradicaloids as nonlinear optical materials2016

    • Author(s)
      鎌田 賢司
    • Organizer
      2016 MRS Spring Meeting
    • Place of Presentation
      フェニックス・アメリカ
    • Year and Date
      2016-03-28
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 分子動力学法と情報科学の融合よるタンパク質の構造探索2016

    • Author(s)
      重田育照
    • Organizer
      分子技術と理論計算・データ科学
    • Place of Presentation
      大阪大学(大阪府・豊中市)
    • Year and Date
      2016-03-14
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算に基づく物質の起源と生命痕跡の探求2016

    • Author(s)
      重田育照
    • Organizer
      化学工学会第81年会・シンポジウム「宇宙惑星居住の実現に向けて- 生命維持,食糧生産,エネルギー・資源開発 等 -」
    • Place of Presentation
      関西大学(大阪府・吹田市)
    • Year and Date
      2016-03-13
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Inverse Histogram-based Sampling Algorithm for Protein-folding Problems2016

    • Author(s)
      重田育照
    • Organizer
      The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7)
    • Place of Presentation
      高雄・台湾
    • Year and Date
      2016-01-25
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / 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
      大阪大学(大阪府・豊中市)
    • Year and Date
      2016-01-23
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] レアイベントとしてのタンパク質の構造変化と機能2016

    • Author(s)
      重田育照
    • Organizer
      タンパク研セミナー「構造を基盤とする蛋白質科学における未解決問題」
    • Place of Presentation
      東京大学(東京都・目黒区)
    • Related Report
      2015 Annual Research Report
    • Invited
  • [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(東京都・太田区)
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Theoretical studies on triplet-triplet annihilation processes of diphenylanthracene derivatives in solution2015

    • Author(s)
      重田育照
    • Organizer
      Pacifichem2015(The 2015 International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      ホノルル・アメリカ
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Open-shell π-conjugated molecular systems for nonlinear optics2015

    • Author(s)
      M. Nakano, R. Kishi, K. Yoneda, K. Fukuda, B. Champagne
    • Organizer
      Pacifichem2015
    • Place of Presentation
      ホノルル・アメリカ
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Low-power photon up-conversion by triplet-triplet annihilation with modified DPA2015

    • Author(s)
      鎌田 賢司
    • Organizer
      IWNBP2015 (3rd International Workshop on Nano and Bio-Photonics)
    • Place of Presentation
      カブール・フランス
    • Year and Date
      2015-12-06
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Molecular Design for Optical Properties of Diarylethenes2015

    • Author(s)
      重田育照
    • Organizer
      Energy, Materials, Nanotechnology (EMN) Bangkok meeting
    • Place of Presentation
      バンコク・タイ
    • Year and Date
      2015-11-10
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT study on electronic structure and magnetic interaction of cyanide-bridged Fe-Co complex2015

    • Author(s)
      Y. Kitagawa, M. Asaoka, K. Miyagi, R. Nishikubo, T. Takebayashi, M. Nakano
    • Organizer
      The 9th Japanese-Russian Workshop on Open Shell Compounds and Molecular Spin Devices
    • Place of Presentation
      淡路夢舞台(兵庫県・淡路市)
    • Year and Date
      2015-11-08
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Simple Conformational Search Algorithms For Protein Folding2015

    • Author(s)
      重田育照
    • Organizer
      6th Czech-Slovakia-Japan Theoretical Chemistry meeting
    • Place of Presentation
      ブラティスラバ・スロバキア
    • Year and Date
      2015-10-10
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Nonlinear optical properties of open-shell singlet molecular systems2015

    • Author(s)
      中野雅由
    • Organizer
      Pacifichem2015(The 2015 International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      ブラティスラバ・スロバキア
    • Year and Date
      2015-10-10
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 理論研究によるチトクロムc酸化酵素の酸化還元と共役したプロトン輸送機構:入り口と出口2015

    • Author(s)
      重田育照
    • Organizer
      生物物理学会・シンポジウム「膜を介したプロトン透過機構」
    • Place of Presentation
      金沢大学(石川県・金沢市)
    • Year and Date
      2015-09-13
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 理論計算に基づくタンパク質の反応性と物性の解析2015

    • Author(s)
      重田育照
    • Organizer
      2015年度第1回水和ナノ構造研究会
    • Place of Presentation
      明賀屋(栃木県・那須町)
    • 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)
      並河 知孝, 喜多 佑斗, 藤原 寛, 小林 健二, 鎌田 賢司
    • Organizer
      XXIV International Materials Research Congress
    • Place of Presentation
      カンクン・メキシコ
    • Year and Date
      2015-08-16
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Nonlinear optical properties of open-shell molecular systems2015

    • Author(s)
      中野雅由
    • Organizer
      250th American Chemical Society National Meeting, "From Diradicals & Polyradicals to Functionalized Materials: Theory Meets Experiment”
    • Place of Presentation
      ボストン・アメリカ
    • Year and Date
      2015-08-16
    • 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)
      鎌田 賢司
    • Organizer
      The 11th Korea-Japan Symposium on Frontier Photoscience-2015 (KJFP-2015)
    • Place of Presentation
      チェジュ・韓国
    • Year and Date
      2015-06-26
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算に基づく酵素機能解析:チトクロムc酸化酵素のプロトンポンプを例として2015

    • Author(s)
      重田育照
    • Organizer
      東京大学物性研究所 「機能物性融合科学シリーズ(3)「反応と輸送」
    • Place of Presentation
      東京大学物性研究所(千葉県・柏市)
    • Year and Date
      2015-06-24
    • Related Report
      2015 Annual Research Report
    • Invited
  • [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(大阪府・豊中市)
    • Year and Date
      2015-05-20
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] チトクロム c 酸化酵素におけるプロトン輸送の構造的仕掛け2015

    • Author(s)
      重田育照
    • Organizer
      分子研研究会「膜タンパク質内部のプロトン透過を考える」
    • Place of Presentation
      分子科学研究所(愛知県・岡崎市)
    • Year and Date
      2015-04-20
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] ポリアセンの単分子伝導に対するスピン分極効果の理論研究2015

    • Author(s)
      竹林 拓, 北河 康隆, 重田 育照, 奥村 光隆, 中野 雅由
    • Organizer
      日本化学会第95春季年会
    • Place of Presentation
      日本, 船橋, 日本大学
    • 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
    • Place of Presentation
      日本, 船橋, 日本大学
    • 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
    • Place of Presentation
      日本, 船橋, 日本大学
    • Year and Date
      2015-03-26 – 2015-03-29
    • Related Report
      2014 Annual Research Report
  • [Presentation] 第一原理計算によるタンパク質のpKaと構造機能相関2015

    • Author(s)
      重田育照
    • Organizer
      日本物理学会シンポジウム
    • Place of Presentation
      日本, 東京, 早稲田大学
    • Year and Date
      2015-03-21 – 2015-03-24
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 酵素活性制御に向けた多階層量子計算手法の応用2015

    • Author(s)
      重田育照
    • Organizer
      理研シンポジウム「生体分子系量子化学計算の最前線」
    • Place of Presentation
      日本, 埼玉, 理研
    • Year and Date
      2015-01-22 – 2015-01-23
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 宇宙生命連携研究による物質進化過程の探索2014

    • Author(s)
      重田育照
    • Organizer
      27回理論懇シンポジウム
    • Place of Presentation
      日本, 東京, 国立天文台
    • Year and Date
      2014-12-24 – 2014-12-26
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 酵素反応過程の解明に向けた動力学理論による新規構造サンプリング手法の開発とその応用2014

    • Author(s)
      馬場 剛史, 重田 育照, 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
      日本, 兵庫, 神戸大学
    • Year and Date
      2014-12-22
    • Related Report
      2014 Annual Research Report
    • Invited
  • [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
      Germany, Giessen, JLU Giessen
    • Year and Date
      2014-12-08 – 2014-12-12
    • Related Report
      2014 Annual Research Report
  • [Presentation] A Molecular Design of Nonlinear Optical Properties and Conductivity Switches on the Basis of Open-shell Nature2014

    • Author(s)
      Y. Shigeta
    • Organizer
      2014 Workshop on Innovative Nanoscale Devices and Systems (WINDS)
    • Place of Presentation
      アメリカ, ハワイ, Hapuna beach prince hotel
    • Year and Date
      2014-11-30 – 2014-12-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Protein Folding Processes Detected by Enhanced Sampling Techniques2014

    • Author(s)
      Y. Shigeta
    • Organizer
      19th International Workshop on Quantum Systems in Chemistry and Physics
    • Place of Presentation
      台湾, 台北, Fullon Hotel
    • Year and Date
      2014-11-11 – 2014-11-17
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Towards Theoretical Design of Catalytic Activities of Enzymes2014

    • Author(s)
      Y. Shigeta
    • Organizer
      The Asia Hub for e-Drug Discovery Symposium 2014
    • Place of Presentation
      中国, 成都, Angel hotel
    • Year and Date
      2014-11-11 – 2014-11-12
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Theoretical study on the diradical characters and optical response properties of open-shell quinoidal oligothiophenes2014

    • Author(s)
      R. Kishi, M. Nakano
    • Organizer
      Vietnum Malaysia International Chemical Congress (VMICC)
    • Place of Presentation
      Vietnam, Hanoi, Daewoo Hotel
    • Year and Date
      2014-11-07 – 2014-11-09
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Efficient Photon Up-Conversion by Organic Materials2014

    • Author(s)
      櫻井 亮彦, 阪上 裕介, 鎌田 賢司
    • Organizer
      The 14th International Symposium on Advanced Organic Photonics (ISOAP2014)
    • Place of Presentation
      日本, 吹田, 大阪大学
    • Year and Date
      2014-11-04 – 2014-11-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算に基づくタンパク質機能デザイン2014

    • Author(s)
      重田育照
    • Organizer
      第8回FMO研究会(CBI学会2014年大会)
    • Place of Presentation
      日本, 東京, タワーホール船堀
    • Year and Date
      2014-10-28 – 2014-10-30
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] First-principles analysis on enzymatic degradation of nylon2014

    • Author(s)
      Y. Shigeta
    • Organizer
      2nd World Congress on Petrochemistry and Chemical Engineering
    • Place of Presentation
      アメリカ, ラスベガス, Embassy suites
    • Year and Date
      2014-10-27 – 2014-10-29
    • Related Report
      2014 Annual Research Report
    • Invited
  • [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
      日本, 北海道, 北海道大学
    • Year and Date
      2014-10-11 – 2014-10-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] アルキル鎖保護ジフェニルアントラセンの三重項-三重項消滅過程と光アップコンバージョン特性2014

    • Author(s)
      櫻井 亮彦, 阪上 裕介, 鎌田 賢司, 藤原 寛, 小林 健二
    • Organizer
      2014年光化学討論会
    • Place of Presentation
      日本, 北海道, 北海道大学
    • Year and Date
      2014-10-11 – 2014-10-13
    • Related Report
      2014 Annual Research Report
  • [Presentation] ポリアセンの開殻性と単分子伝導性の相関についての理論的研究2014

    • Author(s)
      竹林 拓, 重田 育照, 北河 康隆, 奥村 光隆, 中野 雅由
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      日本, 広島, 広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] 酵素の基質結合と大規模構造変化に関する理論的研究2014

    • Author(s)
      馬場 剛史, 原田 隆平, 中野 雅由, 重田 育照
    • Organizer
      第8回分子科学討論会2014東広島
    • Place of Presentation
      日本, 広島, 広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-24
    • 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
      日本, 広島, 広島大学東広島キャンパス
    • Year and Date
      2014-09-21 – 2014-09-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] Theoretical study on electron conductivities of one-dimensional Nickel(II) complexes2014

    • Author(s)
      Yasutaka Kitagawa, Taku Takebayashi, Yasuteru Shigeta, Masayoshi Nakano
    • Organizer
      16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC XVI) 2014
    • Place of Presentation
      Belgium, Houffalize, Domaine Ol Fosse d’Outh
    • Year and Date
      2014-09-13 – 2014-09-16
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] CMDの思想に基づく生命物理学の研究2014

    • Author(s)
      重田育照
    • Organizer
      第25回コンピュテーショナル・マテリアルズ・デザイン(CMD)ワークショップ
    • Place of Presentation
      日本, 京都, 国際高等研
    • Year and Date
      2014-09-01 – 2014-09-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 計算化学によるpKaの高精度算出法2014

    • Author(s)
      重田育照
    • Organizer
      第1回水和ナノ構造研究会
    • Place of Presentation
      日本, 岩手, 奥平温泉
    • Year and Date
      2014-08-28 – 2014-08-29
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Computational Studies on Redox Potential of Metal Complexes and Model Cofactors2014

    • Author(s)
      Y. Shigeta
    • Organizer
      International Conference on Synthetic Metals
    • Place of Presentation
      フィンランド, ツルク, LOGOMO
    • Year and Date
      2014-06-30 – 2014-07-05
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Book] 光化学フロンティア2018

    • Author(s)
      水野 一彦、宮坂 博、池田 浩
    • Total Pages
      400
    • Publisher
      化学同人
    • ISBN
      9784759814194
    • Related Report
      2018 Annual Research Report
  • [Book] OITDA オプトニューズ2017

    • Author(s)
      鎌田賢司
    • Total Pages
      5
    • Publisher
      光技術産業振興協会
    • Related Report
      2017 Annual Research Report
  • [Book] 光技術コンタクト2017

    • Author(s)
      鎌田賢司
    • Total Pages
      6
    • Publisher
      日本オプトメカトロニクス協会
    • Related Report
      2017 Annual Research Report
  • [Book] 錯体化学選書10 金属錯体の量子・計算化学 4.1章2015

    • Author(s)
      重田育照、北河康隆
    • Publisher
      三共出版
    • 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 4.3章2015

    • Author(s)
      中野雅由、岸亮平
    • Publisher
      三共出版
    • Related Report
      2014 Annual Research Report
  • [Remarks] 太陽光の効率的光アップコンバージョン過程のメカニズム解明 ~新たな光エネルギー活用に向けて一歩前進~

    • URL

      http://www.tsukuba.ac.jp/attention-research/p201811151400.html

    • Related Report
      2018 Annual Research Report
  • [Remarks] 理論的手法を用いた結晶内における三重項エネルギーの流れの観測

    • URL

      https://www.chem-station.com/blog/2019/03/tta-uc-theory.html

    • Related Report
      2018 Annual Research Report
  • [Patent(Industrial Property Rights)] 情報記録材料、及び媒体とその記録装置2017

    • Inventor(s)
      鎌田賢司
    • Industrial Property Rights Holder
      鎌田賢司
    • Industrial Property Rights Type
      特許
    • Filing Date
      2017
    • Related Report
      2017 Annual Research Report
  • [Patent(Industrial Property Rights)] 光アップコンバージョン材料2017

    • Inventor(s)
      鎌田賢司
    • Industrial Property Rights Holder
      鎌田賢司
    • Industrial Property Rights Type
      特許
    • Filing Date
      2017-03-03
    • Related Report
      2016 Annual Research Report
  • [Patent(Industrial Property Rights)] 光アップコンバージョン材料2016

    • Inventor(s)
      鎌田賢司
    • Industrial Property Rights Holder
      鎌田賢司
    • Industrial Property Rights Type
      特許
    • Filing Date
      2016-03-18
    • Related Report
      2015 Annual Research Report
  • [Funded Workshop] International Workshop of Photofunctional Materials Using Spin Degrees of Freedom: Interplay among synthesis, measurement, and theory.2019

    • Related Report
      2018 Annual Research Report

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Published: 2014-11-20   Modified: 2022-05-13  

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