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Investigation of mechanism of nonlinear optical properties of open-shell molecular systems and its application to molecular design

Research Project

Project/Area Number 18350007
Research Category

Grant-in-Aid for Scientific Research (B)

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

Principal Investigator

NAKANO Masayoshi  Osaka University, 大学院・基礎工学研究科, 教授 (80252568)

Co-Investigator(Kenkyū-buntansha) KAMADA Kenji  独立行政法人産業技術総合研究所, 光技術研究部門, 主任研究員 (90356816)
KUBO Takashi  大阪大学, 大学院・理学研究科, 教授 (60324745)
Project Period (FY) 2006 – 2008
Project Status Completed (Fiscal Year 2008)
Budget Amount *help
¥13,970,000 (Direct Cost: ¥12,500,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2008: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2007: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Fiscal Year 2006: ¥7,600,000 (Direct Cost: ¥7,600,000)
Keywords電子状態 / 量子化学 / 開殻分子 / 非線形光学 / 量子マスター方程式 / ジラジカル / スピン / 密度汎関数法 / 量子マスタ-方程式 / 開殻系 / フェナレニル / 超分極率 / Ab initio法 / 励起状態
Research Abstract

全く新しい非線形光学物質として開殻分子系を理論的に見出し、その機構を解明した。また、量子化学計算により、モデル分子系の非線形光学物性を予測し、実在可能な開殻分子系の理論設計を行い、分担者の実験家と協力し、その合成および非線形光学物性の測定を行った。その結果、世界最大級の非線形光学物性(二光子吸収断面積)が得られ、我々の理論設計指針の妥当性が確かめられるとともに、従来の閉殻分子系を凌ぐ特性を示す新しい非線形光学物質の研究領域が切り開かれた。

Report

(5 results)
  • 2008 Annual Research Report   Self-evaluation Report ( PDF )   Final Research Report ( PDF )
  • 2007 Annual Research Report
  • 2006 Annual Research Report
  • Research Products

    (194 results)

All 2009 2008 2007 2006 Other

All Journal Article (52 results) (of which Peer Reviewed: 43 results) Presentation (129 results) Book (5 results) Remarks (8 results)

  • [Journal Article] Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer2008

    • Author(s)
      M. Nakano (1番目), T. Kubo (8番目), K. Kamada (9番目), 他9名
    • Journal Title

      Chem. Phys. Lett. 454

      Pages: 97-104

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect2008

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Phys. Lett. 451

      Pages: 111-115

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones2008

    • Author(s)
      R Kishi
    • Journal Title

      Chem. Phys. Lett 454

      Pages: 91-96

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer2008

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Phys. Lett 454

      Pages: 97-104

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers : Ab initio molecular orbital-configuration interaction based quantum master equation study2008

    • Author(s)
      R. Kishi
    • Journal Title

      J. Chem. Phys. 128

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach2008

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Phys. Lett 460

      Pages: 370-374

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study on Second Hyperpolarizabilities of Singlet Diradical Square Planar Nickel Complexes Involving o-Semiquinonato Type Ligands2008

    • Author(s)
      H. Fukui
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 8423-8429

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exciton dynamics of molecular aggregate systems composed of triangular lattice units : structural dependence of exciton migration and recurrence2008

    • Author(s)
      T. Minami
    • Journal Title

      J. Phys. Chem. C 112

      Pages: 16675-16681

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states2008

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Phys. Lett. 467

      Pages: 120-125

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin State Dependence of Second Hyperpolarizabilities of Zethrenes2008

    • Author(s)
      M. Nakano
    • Journal Title

      AIP proceedings : ICNAAM2007 and ICCMSE2007 1046

      Pages: 15-18

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Scanning Tunneling Microscopy Study of a Phenalenyl-Based Singlet Biradical on Graphite.2008

    • Author(s)
      T. Kubo
    • Journal Title

      J. Phys. Chem. C 113

      Pages: 1515-1519

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic structure of 2, 5, 8-tri-tert-butylphenalenyl radical studied by He(I) photoelectron spectroscopy.2008

    • Author(s)
      T. Kubo
    • Journal Title

      J. Electron Spectrosc. Relat Phenom. 165

      Pages: 11-14

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Synthesis and Functionalization of 3, 3-Bis(spirodienone)-Bridged 2, 2-Bithiophene : A New Building Block for Redox-Active Molecular Switching Materials.2008

    • Author(s)
      T. Kubo
    • Journal Title

      Org Lett 10

      Pages: 3837-3840

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Tetrahedral Oligothiophenes ; Synthesis, X-ray Analysis, and Optoelectronic Properties of Highly Symmetrical, 3D-Branched Oligothiophenes.2008

    • Author(s)
      T. Kubo
    • Journal Title

      Chem-Asian J. 3

      Pages: 2024-2032

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chiral Tetrakis(2-thienyl)methane Derivative : A Possible Precursor for Cryptochiral Tetraalkyl methanes.2008

    • Author(s)
      T. Kubo
    • Journal Title

      Chem. Lett 37

      Pages: 1236-1237

    • NAID

      10024397925

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Shape-persisitent, double-herically twisted macrocycles with two quaterphenyl moieties : Synthesis, structure and physicochemical properties for a chiral sensor.2008

    • Author(s)
      T. Kubo
    • Journal Title

      Cmptes Rendus Chimie in press.

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons2007

    • Author(s)
      K. Kamada (1番目), T. Kubo (3番目), M. Nakano (11番目), 他8名
    • Journal Title

      Angew. Chem. Int. Ed. 46

      Pages: 3544-3546

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of the Nature of the Central Heterocyclic Ring and Substitution to Diphenalenyl Rings2007

    • Author(s)
      M. Nakano (1番目), Takashi Kubo (7番目), Kenji Kamada (8番目), 他11名
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 9102-9110

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems: A New Paradigm for Nonlinear Optics2007

    • Author(s)
      M. Nakano (1番目), T. Kubo (5番目), K. Kamada (6番目), 他6名
    • Journal Title

      Phys. Rev. Lett. 99

      Pages: 33001-33001

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Singlet Biradical Character of Phenalenylbased Kekule Hydrocarbon with Naphthoquinoid Structure.2007

    • Author(s)
      T. Kubo (1番目), M. Nakano (5番目), 他8名
    • Journal Title

      Org. Lett. 9

      Pages: 81-84

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Syntheses and Characterizations of Acetylene-Linked Bisphenalenyl and Metallic-like Behavior in Its Charge Transfer Complex2007

    • Author(s)
      T. Kubo (1番目), M. Nakano (5番目), 他6名
    • Journal Title

      Chem. Asian. J. 2

      Pages: 1370-1379

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure2007

    • Author(s)
      T. Kubo, M. Nakano, 他8名
    • Journal Title

      Org. Lett. 9

      Pages: 81-84

    • Related Report
      2008 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems : A New Paradigm for Nonlinear Optics2007

    • Author(s)
      M. Nakano, T. Kubo, K. Kamada, 他6名
    • Journal Title

      Phys. Rev. Lett. 99

      Pages: 33001-33001

    • Related Report
      2008 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons2007

    • Author(s)
      K. Kamada, T. Kubo, M. Nakano, 他8名
    • Journal Title

      Angew. Chem. Int. Ed. 46

      Pages: 3544-3546

    • Related Report
      2008 Self-evaluation Report
    • Peer Reviewed
  • [Journal Article] Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences2007

    • Author(s)
      S. Ohta
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 3633-3641

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Static polarizabilities (α) and second hyperpolarizabilities (γ) of one-dimensional hydrogen-bonded formamides2007

    • Author(s)
      R. Kishi
    • Journal Title

      Computing Letters 3

      Pages: 251-256

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Second Hyperpolarizability of zethrenes2007

    • Author(s)
      M. Nakano
    • Journal Title

      Computing Letters 3

      Pages: 333-338

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study on the Polarizabilities of Molecules in Solution by the Quantum Mechanical/Molecular Mechanical Approach: Comparison with the Polarizable Continuum Model2007

    • Author(s)
      H. Takahashi
    • Journal Title

      Computing Letters 3

      Pages: 441-448

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First and second hyperpolarizabilities of donor-acceptor disubstituted diphenalenyl radical systems2007

    • Author(s)
      M. Nakano
    • Journal Title

      Chem. Phys. Lett. 443

      Pages: 95-101

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Syntheses and Characterizations of Acetylene-Linked Bisphenalenyl and Its Charge Transfer Complex2007

    • Author(s)
      T. Kubo
    • Journal Title

      Chemistry-An Asian Journal 2

      Pages: 1370-1379

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Inter actions in Open-Shell Systems: A New Paradigm for Nonlinear Optics2007

    • Author(s)
      M. Nakano
    • Journal Title

      Phys. Rev. Lett. 99

      Pages: 33001-4

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of the Nature of the Central Heterocyclic Ring and Substitution to Diphenalenyl Rings2007

    • Author(s)
      M. Nakano
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 9102-9110

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Finite-field spin-flip configuration interaction calculation of the second hyperpolarizabilities of singlet diradical systems2007

    • Author(s)
      R. Kishi
    • Journal Title

      J. Chem. Theory Comput. 3

      Pages: 1699-1707

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular orientation effects on two-photon absorption spectra of dimer systems2007

    • Author(s)
      S. Ohta
    • Journal Title

      Chem. Phys. Lett. 448

      Pages: 99-105

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-scale simulations for materials and life sciences2007

    • Author(s)
      F. Castet
    • Journal Title

      AIP proceedings: Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges CP963

      Pages: 350-378

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Character Dependence of γ2007

    • Author(s)
      M. Nakano
    • Journal Title

      AIP proceedings: Computational Methods in Sciece and Engineering, Theory and Computation: Old Problems and New Challenges CP963

      Pages: 102-105

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ambipolar Organic Field-Effect Transistors Based on a Narrow Bandgap Semicon ductor with Balanced Hole and Electron Mobilities2007

    • Author(s)
      T. Kubo
    • Journal Title

      Appl. Phys. Lett. 11

      Pages: 43506-9

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A New Hydrogen-Bonded Charge-Transfer Complex [Ni(Hpydt)_2] TNAP; Synthesis, Structure and Electrical Conductivity2007

    • Author(s)
      S. Shibahara
    • Journal Title

      Inorg. Chem. Comm. 10

      Pages: 860-862

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Syntheses and Unusual Segregated-Alternated Hybrid Stacking Structure of Hydrogen-Bonded Charge-Transfer Complexes Composed of Bis [2,3-pyridinedithiolate] Metal Complexes2007

    • Author(s)
      S. Shibahara
    • Journal Title

      Inorg. Chem. 46

      Pages: 1162-1170

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] CASCI-DFT study of the phenalenyl radical system.2007

    • Author(s)
      T. Ukai
    • Journal Title

      Polyhedron 26

      Pages: 2313-2319

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure2007

    • Author(s)
      T. Kubo
    • Journal Title

      Org. Lett. 9

      Pages: 81-84

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons2007

    • Author(s)
      K. Kamada
    • Journal Title

      Angew. Chem. Int. Ed. 46

      Pages: 3544-3546

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure2007

    • Author(s)
      T.Kubo
    • Journal Title

      Org. Lett. 9

      Pages: 81-84

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character2006

    • Author(s)
      M. Nakano (1番目), T. Kubo (7番目), K. Kamada (11番目), 他11名
    • Journal Title

      J. Chem. Phys. 125

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units2006

    • Author(s)
      Masayoshi Nakano
    • Journal Title

      Chem. Phys. Lett. 418

      Pages: 142-147

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling2006

    • Author(s)
      Suguru Ohta
    • Journal Title

      Chem. Phys. Lett. 419

      Pages: 70-74

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Intermolecular interaction effects on second hyperpolarizabilities of clusters including charged species2006

    • Author(s)
      Masayoshi Nakano
    • Journal Title

      Journal of Computational Methods in Sciences and Engineering (JCMSE) 6

      Pages: 211-222

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge2006

    • Author(s)
      Suguru Ohta
    • Journal Title

      Chem. Phys. Lett. 420

      Pages: 432-437

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Second Hyperpolarizabilities (γ) of Bisimidazole and Bistriazole Benzenes : Diradical Character, Charged State and Spin State Dependences2006

    • Author(s)
      Masayoshi Nakano
    • Journal Title

      J. Phys. Chem. A 110

      Pages: 74113-74113

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Second hyperpolarizabilities of polycyclic diphenalenyl radicals : effects of para/ortho-quinoid structures and central ring modification2006

    • Author(s)
      Masayoshi Nakano
    • Journal Title

      Chem. Phys. Lett. 429

      Pages: 174-179

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Second hyperpolarizabilities (γ) of open-shell singlet one-dimensional systems : Intersite interaction effects on the average diradical character and size dependences ofγ2006

    • Author(s)
      M.Nakano
    • Journal Title

      Chem. Phys. Lett. 432

      Pages: 473-479

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons

    • Author(s)
      K.Kamada
    • Journal Title

      Angew. Chem. Int. Ed. (In press)

    • Related Report
      2006 Annual Research Report
  • [Presentation] 一重項ジラジカル系化合物の二光子吸収特性と実験値に基づくジラジカル因子yの決定について2009

    • Author(s)
      鎌田賢司
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-29
    • Related Report
      2008 Annual Research Report
  • [Presentation] 一重項開殻ナノグラフェンのスピン分極と三次非線形光芋効果の理論的研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] QM/MM法による極性溶媒中における含ホウ素ジラジカル化合物の分極率に関する理論的研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] グラフェンナノデイスクのスピン分極と非線形光学効果の理論妁研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] ジラジカル分子系の二光子吸収の理論研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI 法に基づく動的エキシトン表示によるアントラセンニ量体のエキシトン回帰運動の理論研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] 環状分子集合体における円偏光照射後のエキシトン回転運動の理論的研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] o-セミキノネートNi錯体からなる開殻一重項slipped-stackタイマーの三次非線光学物性の理論的研究2009

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第89春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] ナフト縮環p-ターフェノキノン誘導体の合成と性質2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] トリ(2-チエニル)アリールシラン類の合成と反応2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] ピリジニルラジカルを基盤とした拡張トリメチレンメタンビラジカルの合成と同定2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] テトラアリールメタン骨格を基盤とするキラル分子の合成と光学的性質2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] 正四面体型拡張オリゴチオフェン類の合成、構造および光学的性質2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] テトラキス(3-および4-ピリジル)メタンの合成研究2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] ペリアセン類の合成と物性2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] 二つのフェナレニルをアセチレンを介して弱く相互作用させた化合物の合成と物性2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] 分子性金属の開発を目指した縮合多環芳香族炭化水素ラジカルの合成と物性2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] 非局在型一重項ビラジカルの強い分子間相互作用の実験的解明2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] フェナレニルをクムレン架橋した非局在型一重項ビラジカル分子の合成と物性2009

    • Author(s)
      久保孝史
    • Organizer
      第89回日本化学会春季年会
    • Place of Presentation
      日本大学
    • Year and Date
      2009-03-27
    • Related Report
      2008 Annual Research Report
  • [Presentation] o-セミキノネード型リガンドを含む平面四配位金属錯体のジラジカル性と三次非線形光学効果についての理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      実在系の分子理論平成20年度成果報告会
    • Place of Presentation
      北海道大学
    • Year and Date
      2008-12-16
    • Related Report
      2008 Annual Research Report
  • [Presentation] ビス(スピロジエノン)架橋ビチオフェン類の合成と特異な酸化還元挙動2008

    • Author(s)
      久保孝史
    • Organizer
      第35回有機典型元素化学討論会
    • Place of Presentation
      首都大学東京
    • Year and Date
      2008-12-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] プロトン共役電子移動を指向したチオアミド金属錯体の合成と物性2008

    • Author(s)
      久保孝史
    • Organizer
      第35回有機典型元素化学討論会
    • Place of Presentation
      首都大学東京
    • Year and Date
      2008-12-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] カゴ状オリゴチオフェンの合成研究2008

    • Author(s)
      久保孝史
    • Organizer
      第2回有機π電子系シンポジウム
    • Place of Presentation
      宮島グランドホテル有もと
    • Year and Date
      2008-12-05
    • Related Report
      2008 Annual Research Report
  • [Presentation] ペリアセン類の合成と物性2008

    • Author(s)
      久保孝史
    • Organizer
      第2回有機π電子系シンポジウム
    • Place of Presentation
      宮島グランドホテル有もと
    • Year and Date
      2008-12-05
    • Related Report
      2008 Annual Research Report
  • [Presentation] ナノグラフェンの非線形光学効果の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第6回京都大学福井謙一記念研究センタフシンポジウム
    • Place of Presentation
      京都大学福井謙一記念研究センター
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 円偏光照射下における環状分子集合体のエキシトン回帰運動の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第6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
      京都大学福井謙一記念研究センター
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 一重項開殻o-セミキノネート錯体タイマーの第二超分極率に対する分子間相互作用効果の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第6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
      京都大学福井謙一記念研究センター
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI法に基づく量子マスター方程式法によるアントラセン二量体のエキシトン回帰運動の解析2008

    • Author(s)
      中野雅由
    • Organizer
      第6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
      京都大学福井謙一記念研究センター
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Advances in the structure-property relationship of molecular two-photon materials: possibilities of the electronic open-shell species2008

    • Author(s)
      K. Kamada, K. Ohta
    • Organizer
      International Workshop on Emerging Materials & Active Polymer Patterning
    • Place of Presentation
      Seoul, Korea, Nov.(invited)
    • Year and Date
      2008-11-20
    • Related Report
      2008 Final Research Report
  • [Presentation] Advances in the structure-property relationship of molecular two-photon materials : possibilities of the electronic open-shell species2008

    • Author(s)
      K. Kamada, K. Ohta
    • Organizer
      International Workshop on Emerging Materials & Active Polymer Patterning
    • Place of Presentation
      Seoul, Korea(invited)
    • Year and Date
      2008-11-20
    • Related Report
      2008 Self-evaluation Report
  • [Presentation] Advances in the structure-property relationship of molecular two-photon materials : possibilities of the electronic open-shell species2008

    • Author(s)
      K. Kamada
    • Organizer
      International Workshop on Emerging Materials & Active Polymer Patterning
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2008-11-20
    • Related Report
      2008 Annual Research Report
  • [Presentation] Coexistence of Intra and Intermolecular Spin-Spin Interaction of Phenalenyl-Based Delocalized Singlet Biradical2008

    • Author(s)
      T. Kubo
    • Organizer
      International Workshop on Molecular Information and Dynamics 2008
    • Place of Presentation
      National Taiwan University of Science and Technology, Taiwan
    • Year and Date
      2008-11-10
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical Study on Open-Shell Nonlinear Optical Molecular Systems and a Development of a Novel Computational Scheme of Exciton Dynamics2008

    • Author(s)
      M. Nakano, R. Kishi, H. Fukui, T. Minami, K. Yoneda, H. Takahashi
    • Organizer
      AsiaNANO 2008
    • Place of Presentation
      Biopolis in Singapore
    • Year and Date
      2008-11-04
    • Related Report
      2008 Annual Research Report 2008 Final Research Report
  • [Presentation] 2', 3'-位に置換基を有するモノベンゾ縮環ρ-ターフェノキノン誘導体の合成と性質2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] 2, 2'-ビス(スピロジエノン)架橋3, 3'-ビチオフェン類の合成とその特異な酸化還元挙動2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] ビス(スピロジエノン)構造で架橋されたビチオフェン誘導体の合成・構造・反応性。2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] ピリジン環拡張したトリメチレンメタンビラジカルの合成と性質。2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] チアジアゾールジチオレートを配位子とする高プロトンドナー性金属錯体の合成。2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] アリール-(2-ピリジル)-(3-ピリジル)-(4-ピリジル)メタンの合成と光学的性質2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] アセチレン連結型ビスフェナレニル分子の合成と物性2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ni(0)錯体を用いたジベンゾペンタレン誘導体の合成2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] グラフェンナノリボンのマルチラジカル性の理論的考察2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] 分子性金属の開発を目指した縮合多環芳香族炭化水素ラジカルの合成2008

    • Author(s)
      久保孝史
    • Organizer
      第19回基礎有機化学討論会
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-10-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences2008

    • Author(s)
      M. Nakano
    • Organizer
      ICCMSE 2008, highlighted keynote lecture, Hotel Belvedere Imperial
    • Place of Presentation
      Crete, Greece
    • Year and Date
      2008-09-26
    • Related Report
      2008 Final Research Report
  • [Presentation] Third-Order Nonlinear Optical Properties of Open-Shell Systems : Diradical Character and Spin State Dependences2008

    • Author(s)
      M. Nakano
    • Organizer
      ICCMSE highlighted keynote lecture, Hotel Belvedere Imperial
    • Place of Presentation
      Crete, Greece
    • Year and Date
      2008-09-26
    • Related Report
      2008 Self-evaluation Report
  • [Presentation] Third-Order Nonlinear optical Properties of Open-Shell Systems : Diradical Character and Spin State Dependences2008

    • Author(s)
      M. Nakano
    • Organizer
      ICCMSE 2008
    • Place of Presentation
      Hotel Belvedere Imperial, Greece
    • Year and Date
      2008-09-25
    • Related Report
      2008 Annual Research Report
  • [Presentation] Quantum Master Equation Approach to Exciton Recurrence Motion in A Ring-Shaped Aggregate Complex Induced by Circular-Polarized Laser Field2008

    • Author(s)
      M. Nakano
    • Organizer
      ICCMSE 2008
    • Place of Presentation
      Hotel Belvedere Imperial, Greece
    • Year and Date
      2008-09-25
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI法に基づく量子マスター方程式アプローチ : 新しいエキシトン表示による励起移動ダイナミクス2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] QM/MM法による極性溶媒中における含ホウ素ジラジカル化合物の分極率に関する理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] ジフェナレニルラジカル分子集合体のスピン分極および三次非線形光学特性の理論研究2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] o-セミキノネート型リガンドを含む平面四配位金属錯体のジラジカル因子および第二超分極率の中心金属依存性2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Numerical Coupled Liouville アプローチによる一次元分子集合体の光学スペクトルの, 構造依存性の解析2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] ナノグラフェンのスピン分極と分極率についての理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] ビスフェナレニル型一重項ビラジカル種の電子構造2008

    • Author(s)
      久保孝史
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] ジグザグ端を有するナノグラフェンの合成と電子構造解明2008

    • Author(s)
      久保孝史
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] ベンゼン環からグラフェンエッジ(ラジカル)状態を作る2008

    • Author(s)
      久保孝史
    • Organizer
      日本物理学会2008年秋季
    • Place of Presentation
      岩手大学
    • Year and Date
      2008-09-20
    • Related Report
      2008 Annual Research Report
  • [Presentation] 実験値に基づくジラジカル因子の決定について2008

    • Author(s)
      鎌田賢司
    • Organizer
      光化学討論会
    • Place of Presentation
      大阪府立大学
    • Year and Date
      2008-09-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] 電子およびプロトンの非局在性を活かしたパイ共役系有機分子の化学2008

    • Author(s)
      久保孝史
    • Organizer
      第40回 構造有機化学若手の会 夏の学校
    • Place of Presentation
      足和田ホテル
    • Year and Date
      2008-08-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Second hyperpolarizabilities of open-shell singlet molecular aggregates composed of diphenalenyl diradicals2008

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Okazaki Conference Center, Japan
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Diradical Character and Nonlinear Optical Properties of Singlet Diradical Square Planar Metal Complexes[M(C_6H_4X_2)_2]2008

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Okazaki Conference Center, Japan
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Diradical character and spin density distribution of nanographenes2008

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Okazaki Conference Center, Japan
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Exciton Dynamics in Molecular Aggregates by Circular-Polarized Laser Field2008

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Okazaki Conference Center, Japan
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI based quantum master equation approach : applications of a novel exciton expression based on the polarizability density2008

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Okazaki Conference Center, Japan
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Strong Intermolecular Spin-Spin Interaction of Phenalenyl-Based Singlet Biradical Having Weak Intramolecular Spin-Spin Interaction2008

    • Author(s)
      T. Kubo
    • Organizer
      Fπ8, The 8^<th> International Symposium on Functional π-Electron Systems
    • Place of Presentation
      Graz, Austria
    • Year and Date
      2008-07-21
    • Related Report
      2008 Annual Research Report
  • [Presentation] Synthesis of trimethylenemethane (TMM) dication derivatives extended with pyridine rings.2008

    • Author(s)
      T. Kubo
    • Organizer
      Fπ8, The 8^<th> International Symposium on Functional π-Electron Systems
    • Place of Presentation
      Graz, Austria
    • Year and Date
      2008-07-21
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI based master equation study on energy migration dynamics in nanostar Phenylacetylene dendrimers : effects of non-planar conformations2008

    • Author(s)
      M. Nakano
    • Organizer
      ICSM2008
    • Place of Presentation
      Porto de Galinhas, Brazil
    • Year and Date
      2008-07-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals2008

    • Author(s)
      M. Nakano
    • Organizer
      ICSM2008
    • Place of Presentation
      Porto de Galinhas, Brazil
    • Year and Date
      2008-07-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Control of third-order nonlinear optieal properties of singlet diradical square planar nickel complexes involving o-semiquinonate type ligands : a theoretical study2008

    • Author(s)
      M. Nakano
    • Organizer
      ICSM2008
    • Place of Presentation
      Porto de Galinhas Brazil
    • Year and Date
      2008-07-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical Study on Nonlinear Optical Properties of Diradical Molecular Systems2008

    • Author(s)
      M. Nakano
    • Organizer
      Frontiers in Chemistry and Interface with Biology and Physics
    • Place of Presentation
      Osaka Univ.
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio MO-CI based quantum master equation approach to exciton dynamics in supermolecular systems2008

    • Author(s)
      M. Nakano
    • Organizer
      Frontiers in Chemistry and Interface with Biology and Physics
    • Place of Presentation
      Osaka Ubniv.
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] THEORETICAL INVESTIGATION OF MULTIRADICALOID NANOGRAPHENES.2008

    • Author(s)
      T. Kubo
    • Organizer
      Frontiers in Chemistry and Interface with Biology and Physics
    • Place of Presentation
      大阪大学
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 三角格子ユニットからなる分子集合体のエキシトン回帰運動の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第11回 理論化学討論会
    • Place of Presentation
      慶応大学
    • Year and Date
      2008-05-22
    • Related Report
      2008 Annual Research Report
  • [Presentation] 一重項開殻分子集合体のジラジカル因子および非線形光学特性について2008

    • Author(s)
      中野雅由
    • Organizer
      第11回 理論化学討論会
    • Place of Presentation
      慶応大学
    • Year and Date
      2008-05-22
    • Related Report
      2008 Annual Research Report
  • [Presentation] o-セミキノネート型リガンドを含む平面四配位Ni錯体の非線形光学特性の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第11回 理論化学討論会
    • Place of Presentation
      慶応大学
    • Year and Date
      2008-05-22
    • Related Report
      2008 Annual Research Report
  • [Presentation] Long-range corrected DFT calculations of static second hyperpolarizabilities of singlet diradical systems2008

    • Author(s)
      M. Nakano
    • Organizer
      ICONO10/ICOPE2008
    • Place of Presentation
      La Fonda Hotel, US
    • Year and Date
      2008-05-18
    • Related Report
      2008 Annual Research Report
  • [Presentation] Static polarizabilities and second hyperpolarizabilities of one-dimensional hydrogen-bonded 4-pyridones2008

    • Author(s)
      M. Nakano
    • Organizer
      ICONO10/ICOPE2008
    • Place of Presentation
      La Fonda Hotel, US
    • Year and Date
      2008-05-18
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical study on the second hyperpolarizability of open-shell-singlet diphenalenyl radical dimmer2008

    • Author(s)
      M. Nakano
    • Organizer
      ICONO10/ICOPE2008
    • Place of Presentation
      La Fonda Hotel. US
    • Year and Date
      2008-05-18
    • Related Report
      2008 Annual Research Report
  • [Presentation] フェナレニルを基盤とする非局在型シングレットビラジカルの物性と機能性2008

    • Author(s)
      久保孝史
    • Organizer
      日本化学会第88春季年会特別企画講演
    • Place of Presentation
      立教大学
    • Year and Date
      2008-03-30
    • Related Report
      2008 Final Research Report
  • [Presentation] フェナレニルを基盤とする非局在型シングレットビラジカルの物性と機能性2008

    • Author(s)
      久保孝史
    • Organizer
      日本化学会第88春季年会, 特別企画講演 5S8-05
    • Place of Presentation
      立教大学
    • Year and Date
      2008-03-30
    • Related Report
      2008 Self-evaluation Report
  • [Presentation] 理論に基づくビラジカル因子と観測量の関係:ビラジカル非線形光学物質の提案2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-30
    • Related Report
      2007 Annual Research Report
  • [Presentation] フェナレニルを基盤とする非局在型シングレットビラジカルの物性と機能性2008

    • Author(s)
      久保孝史
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-30
    • Related Report
      2007 Annual Research Report
  • [Presentation] Dehydrobenzo [n]annulene (n=12,18)系の三次非線形光学効果の超分極率密度解析2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-29
    • Related Report
      2007 Annual Research Report
  • [Presentation] 多重縮環ジヒドロベンゾ[12]アヌレン類の二光子吸収スペクトルの理論的研究2008

    • Author(s)
      鎌田賢司
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-29
    • Related Report
      2007 Annual Research Report
  • [Presentation] 開殻分子系の三次非線形光学効果のジラジカル因子依存性と磁気的相互作用との関係2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] ο-セミキノネート型リガンドを含む平面四配位金属錯体の非線形光学効果の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] フェナレニルを基盤とする縮合多環芳香族炭化水素ラジカルの合成検討2008

    • Author(s)
      久保孝史
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] 含ホウ素ジラジカル化合物の超分極率の量子化学計算2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] 三角格子ユニットからなる分子集合体のエキシトンダイナミクス2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] Numerical coupled Liouvilleアプローチ(NCLA)に基づく一次元分子集合体の密度行列の時空間発展についての理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      日本化学会第88年会
    • Place of Presentation
      立教大学、東京
    • Year and Date
      2008-03-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] π電子共役分子からなる一次元水素結合分子鎖の非線形光学特性の理論的研究2008

    • Author(s)
      中野雅由
    • Organizer
      第3回非線形テクノサイエンス講演会
    • Place of Presentation
      千里ライフサイエンスセンター
    • Year and Date
      2008-03-04
    • Related Report
      2007 Annual Research Report
  • [Presentation] Enhanced Two-Photon Absorption of Singlet Diradical Systems2008

    • Author(s)
      K. Kamada
    • Organizer
      ISAOP-8/IMRAM Int'l Symp.(The 8th Int'l Symp. on Advanced Organic Photonics/IMRAM Int'l Symp.)
    • Place of Presentation
      東北大学片平キャンパス
    • Year and Date
      2008-02-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] Ab initio MO-CI based quantum master equation approach to energy migration dynamics in nanostar dendrimers2008

    • Author(s)
      Masayoshi Nakano
    • Organizer
      The 1st International Global COE Symposium on Bio-Environmental Chemistry (GCOEBEC-1)
    • Place of Presentation
      Hotel Hankyu EXPO Park, Osaka, Japan
    • Year and Date
      2008-01-29
    • Related Report
      2007 Annual Research Report
  • [Presentation] アセチレン連結型ビスフェナレニル化合物の一電子酸化状態の性質2007

    • Author(s)
      久保孝史
    • Organizer
      第1回有機π電子系シンポジウム
    • Place of Presentation
      秋葉原ダイビル
    • Year and Date
      2007-12-08
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical study on open-shell nonlinear optical systems: relationship between magnetic interaction and second hyperpolarizability2007

    • Author(s)
      M. Nakano
    • Organizer
      The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
    • Place of Presentation
      Kyoto Univ.
    • Year and Date
      2007-12-07
    • Related Report
      2007 Annual Research Report
  • [Presentation] フェナレニルのスピン非局在性を利用した一重項ビラジカルの合成と性質2007

    • Author(s)
      久保孝史
    • Organizer
      第37回構造有機化学討論会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-10-29
    • Related Report
      2007 Annual Research Report
  • [Presentation] ピリジンジチオレート金属錯体を基盤としたプロトン・電子ドナーの合成と性質2007

    • Author(s)
      久保孝史
    • Organizer
      第37回構造有機化学討論会
    • Place of Presentation
      北海道大学
    • Year and Date
      2007-10-29
    • Related Report
      2007 Annual Research Report
  • [Presentation] Second Hyperpolarizabilities (γ) of 1, 3-Dipole Systems: Diradical Charecter Dependence ofγ2007

    • Author(s)
      M. Nakano, R. Kishi, A. Takebe, M. Nate, H. Takahashi, T. Kubo, K. Kamada, K. Ohta, B. Champagne E. Botek
    • Organizer
      ICCMSE 2007
    • Place of Presentation
      Corfu, Greece(invited)
    • Year and Date
      2007-09-26
    • Related Report
      2008 Final Research Report
  • [Presentation] Second Hyperpolarizabilities (γ) of 1, 3-Dipole Systems: Diradical Charecter Dependence of γ2007

    • Author(s)
      Masayaoshi Nakano
    • Organizer
      ICCMSE 2007
    • Place of Presentation
      Corfu, Greece
    • Year and Date
      2007-09-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] Spin State Dependence of Second Hyperpolarizabilities of Zethrenes2007

    • Author(s)
      Masayaoshi NAKANO
    • Organizer
      ICCMSE 2007
    • Place of Presentation
      Corfu, Greece
    • Year and Date
      2007-09-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] プロトン-電子連動システムを指向したピリジンジチオレート金属錯体の合成と物性2007

    • Author(s)
      久保孝史
    • Organizer
      第57回錯体化学討論会
    • Place of Presentation
      名古屋工業大学
    • Year and Date
      2007-09-25
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Study on Open-Shel Nonlinear Optical Molecular Systems2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      ACPTCC (The 3rd Asian Pacific Conference on Theoretical & Computational Chemistry)
    • Place of Presentation
      Jiuhua Spa and Resort, Beijing,
    • Year and Date
      2007-09-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] Singlet Biradical Hydrocarbons Based on Bisphenalenyl: Molecular Designs, Syntheses, and Functional Properties2007

    • Author(s)
      Takashi KUBO
    • Organizer
      4th Japanese-Sino Symposium on Organic Chemistry for Young Scientists
    • Place of Presentation
      Narita, Japan
    • Year and Date
      2007-09-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] Numerical Coupled Liouville アプローチによる線形分子集合体における動的超分極率の空間的寄与の解析2007

    • Author(s)
      中野雅由
    • Organizer
      第一回分子科学討論会
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-20
    • Related Report
      2007 Annual Research Report
  • [Presentation] 電荷欠損を有する一次元開殻分子系の三次非線形光学効果に関する理論的研究2007

    • Author(s)
      中野雅由
    • Organizer
      第一回分子科学討論会
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-20
    • Related Report
      2007 Annual Research Report
  • [Presentation] ドナー・アクセプター置換ジフェナレニルラジカル分子の二次および三次非線形光学特性の理論的研究2007

    • Author(s)
      中野雅由
    • Organizer
      第一回分子科学討論会
    • Place of Presentation
      仙台
    • Year and Date
      2007-09-17
    • Related Report
      2007 Annual Research Report
  • [Presentation] Long-Range Corrected DFT Calculation of Static Second Hyperpolariz abilities of Singlet Diradical Systems2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      DFT2007
    • Place of Presentation
      Tropen Museum, Amsterdam, the Netherland
    • Year and Date
      2007-08-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Study on Open-shell Nonlinear Optical Systems2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Kyoto Univ. (Katsura campus), Japan
    • Year and Date
      2007-07-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Study on the Nonlinear Optical Properties of Hydrogen-Bonded One-Dimensional Chains Composed of π-Conjugated Monomers2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Kyoto Univ. (Katsura campus), Japan
    • Year and Date
      2007-07-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Finite-field spin-flip CI calculation of the second hyperpolarizabilities of singlet diradical systems2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Kyoto Univ. (Katsura campus), Japan
    • Year and Date
      2007-07-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Spatial analysis of dynamic hyperpolarizability of linear molecular aggregates based on Numerical Coupled Liouville Approach2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Kyoto Univ. (Katsura campus), Japan
    • Year and Date
      2007-07-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical study on second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      International Symposium on Molecular Theory for Real Systems
    • Place of Presentation
      Kyoto Univ. (Katsura campus), Japan
    • Year and Date
      2007-07-27
    • Related Report
      2007 Annual Research Report
  • [Presentation] Synthetic study toward bicycle [n. n. n] thiophenes2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Synthesis and chiroptical properties of phenyl-(2-pyridyl)-(3-pyridyl)-(4-pyridyl) methane2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Elucidation of the electronic structure of phenalenyl-based singlet biradical having an anthraquinoid moiety2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Synthesis and temperature-dependent redox properties of a novel p-quaterquinone integrated with dithieno-annelated bis (spirodienone) skeleton2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Study on the Nonlinear Optical Properties of Hydrogen-Bonded One-Dimensional Chains Composed of π-Conjugated Monomers2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      ISNA-12 (international conference on novel aromatic compounds)
    • Place of Presentation
      Awaji-island, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of Central Heterocyclic Ring Modification and Substitution to Diphenalenyl Rings2007

    • Author(s)
      Masayoshi Nakano
    • Organizer
      ISNA-12 (international conference on novel aromatic compounds)
    • Place of Presentation
      Awaji-island, Japan
    • Year and Date
      2007-07-24
    • Related Report
      2007 Annual Research Report
  • [Presentation] Isolable Singlet Biradicals Based on Bisphenalenyl: Intra-and Intermolecular Spin-Spin Interaction2007

    • Author(s)
      T. Kubo
    • Organizer
      ISNA-12 (international conference on novel aromatic compounds)
    • Place of Presentation
      Awaji-island, Japan
    • Year and Date
      2007-07-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Synthesis and properties of p-extended trimethylenemethane based on tris (4-pyridyl) methane2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Syntheses and properties of bis (3,4-pyridinedithiolate) metal complexes possessing dissociative protons2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Novel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Synthesis of macrocyclic cyclophanes involving tetraphenyl units via McMurry coupling2007

    • Author(s)
      Takashi KUBO
    • Organizer
      12th International Symposium on Vovel Aromatic Compounds
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2007-07-23
    • Related Report
      2007 Annual Research Report
  • [Presentation] Two-photon absorption property of singlet diradical systems2007

    • Author(s)
      K. Kamada
    • Organizer
      ICPFAM9 (IXth International Conference on Frontiers of Polymers and Advanced Materials)
    • Place of Presentation
      Cracow, Poland
    • Year and Date
      2007-07-09
    • Related Report
      2007 Annual Research Report
  • [Presentation] 開殻分子系の非線形光学物性2007

    • Author(s)
      中野雅由
    • Organizer
      第1回 分子科学会シンポジウム
    • Place of Presentation
      東京大学理学部化学本館5階講堂
    • Year and Date
      2007-07-07
    • Related Report
      2007 Annual Research Report
  • [Presentation] Singlet biradical hydrocarbons based on bisphenalenyl: Syntheses and physical properties associated with biradical character2007

    • Author(s)
      Takashi KUBO
    • Organizer
      1st Russian-Japanese Workshop "Open Shell Compounds and Molecular Spin Devices"
    • Place of Presentation
      Novosibirsk, Russia
    • Year and Date
      2007-06-30
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical and Computational Design of Open-Shell Nonlinear Optical Systems, M. Nakano, Multi-scale and Large-scale Simulation in DoD Materials Science2007

    • Author(s)
      M. Nakano
    • Organizer
      Cooporation, McLean
    • Place of Presentation
      VA, USA(Invited)
    • Year and Date
      2007-06-14
    • Related Report
      2008 Final Research Report
  • [Presentation] Theoretical and Computational Design of Open-Shell Nonlinear Optical Systems2007

    • Author(s)
      M. Nakano
    • Organizer
      Multi-scale and Large-scale Simulation in DoD Materials Science
    • Place of Presentation
      MITRE Cooporation, McLean, VA, USA
    • Year and Date
      2007-06-14
    • Related Report
      2007 Annual Research Report
  • [Presentation] Spin-flip CI法による一重項ジラジカル分子の静的第二超分極率計算2007

    • Author(s)
      中野雅由
    • Organizer
      第10回理論化学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2007-05-14
    • Related Report
      2007 Annual Research Report
  • [Presentation] ゼスレン系の三次非線形光学効果の理論研究2007

    • Author(s)
      中野雅由
    • Organizer
      第10回理論化学討論会
    • Place of Presentation
      名古屋大学
    • Year and Date
      2007-05-14
    • Related Report
      2007 Annual Research Report
  • [Presentation] Theoretical Study on the Second hyperpolarizabiliies of Diphenalenyl Radical Systems2006

    • Author(s)
      M. Nakano, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek, K. Yamaguchi
    • Organizer
      ICCMSE 2006
    • Place of Presentation
      Greece(invited)
    • Year and Date
      2006-10-31
    • Related Report
      2008 Final Research Report
  • [Book] みず学への誘い2008

    • Author(s)
      中野雅由
    • Publisher
      大阪大学出版会
    • Related Report
      2008 Annual Research Report
  • [Book] “Measurement and computational techniques and the structure-property relationship of two-photon absorption of molecular systems" in Multiphoton processes in organicmaterials and their applications, F. Kajzar ed. Series : Modern Concepts in Optics2008

    • Author(s)
      K. Kamada
    • Publisher
      0ld City Publishing, Inc.
    • Related Report
      2008 Annual Research Report
  • [Book] "Atoms, Molecules and clusters in electric fields, theoretical approaches to the calculation of electric polarizability", ed. Series in Computational, Numerical and Mathematical Methods in Sciences and Engineering2006

    • Author(s)
      George Maroulis
    • Total Pages
      679
    • Publisher
      Imperial College Press
    • Related Report
      2008 Final Research Report
  • [Book] Atoms, Molecules and clusters in electric fields, theoretical approaches to the calculation of electric polarizability Series in Computational, Numerical and Mathematical Methods in Sciences and Engineering, Chapter 10, (ed.by George Maroulis,)2006

    • Author(s)
      M.Nakano
    • Total Pages
      679
    • Publisher
      Imperial College Press
    • Related Report
      2006 Annual Research Report
  • [Book] Chapter 10. Third-order nonlinear optical properties of open-shell and/or charged molecular systems

    • Author(s)
      M. Nakano
    • Related Report
      2008 Final Research Report
  • [Remarks] M. Nakano, Research Excellence Award, International Conference of Computational Methods in Science and Engineering (ICCMSE) 2007, European Society of Computational Methods in Science and Engineering, Sep. 27 (2007).

    • URL

      http://www.iccmse.org/ICCMSE2008/index.htm

    • Related Report
      2008 Final Research Report
  • [Remarks]

    • URL

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

    • Related Report
      2008 Final Research Report
  • [Remarks]

    • URL

      http://unit.aist.go.jp/photonics/ci/group/PPG.html

    • Related Report
      2008 Final Research Report
  • [Remarks]

    • URL

      http://www.chem.sci.osaka-u.ac.jp/lab/kubo/Start.html

    • Related Report
      2008 Final Research Report
  • [Remarks] M. Nakano, Research Excellence Award, International Conference of Computational Methods in Science and Engineering (ICCMSE) 2007, European Society of Computational Methods in Science and Engineering, Sep. 27 (2007).

    • URL

      http://www.iccmse.org/ICCMSE2008/index.htm

    • Related Report
      2008 Self-evaluation Report
  • [Remarks]

    • URL

      http://koho.jim.osaka-u.ac.jp/pub/00001002/00000135.html

    • Related Report
      2007 Annual Research Report
  • [Remarks]

    • URL

      http://www.es.osaka-u.ac.jp/news/500.html

    • Related Report
      2007 Annual Research Report
  • [Remarks]

    • URL

      http://www.osaka-u.ac.jp/jp/press/now/pdf/now100.pdf

    • Related Report
      2007 Annual Research Report

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Published: 2006-04-01   Modified: 2016-04-21  

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