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

• Project/Area Number: 18350007
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Osaka 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: ¥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。

Research Products

• [Journal Article] Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer (2008)
  • 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
  • Peer Reviewed
• [Journal Article] Theoretical study on the second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect (2008)
  • Author(s): M. Nakano
  • Journal Title: Chem. Phys. Lett. 451 Pages: 111-115
  • Peer Reviewed
• [Journal Article] Cooperative effects in static polarizabilities and second hyperpolarizabilities of hydrogen-bonded 4-pyridones (2008)
  • Author(s): R Kishi
  • Journal Title: Chem. Phys. Lett 454 Pages: 91-96
  • Peer Reviewed
• [Journal Article] Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer (2008)
  • Author(s): M. Nakano
  • Journal Title: Chem. Phys. Lett 454 Pages: 97-104
  • Peer Reviewed
• [Journal Article] Core molecule dependence of energy migration in phenylacetylene nanostar dendrimers : Ab initio molecular orbital-configuration interaction based quantum master equation study (2008)
  • Author(s): R. Kishi
  • Journal Title: J. Chem. Phys. 128
  • Peer Reviewed
• [Journal Article] A novel dynamic exciton expression based on the ab initio MO CI based quantum master equation approach (2008)
  • Author(s): M. Nakano
  • Journal Title: Chem. Phys. Lett 460 Pages: 370-374
  • Peer Reviewed
• [Journal Article] Theoretical Study on Second Hyperpolarizabilities of Singlet Diradical Square Planar Nickel Complexes Involving o-Semiquinonato Type Ligands (2008)
  • Author(s): H. Fukui
  • Journal Title: J. Phys. Chem. A 112 Pages: 8423-8429
  • Peer Reviewed
• [Journal Article] Exciton dynamics of molecular aggregate systems composed of triangular lattice units : structural dependence of exciton migration and recurrence (2008)
  • Author(s): T. Minami
  • Journal Title: J. Phys. Chem. C 112 Pages: 16675-16681
  • Peer Reviewed
• [Journal Article] Theoretical study of third-order nonlinear optical properties in square nanographenes with open-shell singlet ground states (2008)
  • Author(s): M. Nakano
  • Journal Title: Chem. Phys. Lett. 467 Pages: 120-125
  • Peer Reviewed
• [Journal Article] Spin State Dependence of Second Hyperpolarizabilities of Zethrenes (2008)
  • Author(s): M. Nakano
  • Journal Title: AIP proceedings : ICNAAM2007 and ICCMSE2007 1046 Pages: 15-18
  • 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
  • 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
  • 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
  • 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
  • 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
  • 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.
  • Peer Reviewed
• [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons (2007)
  • 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
  • Peer Reviewed
• [Journal Article] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of the Nature of the Central Heterocyclic Ring and Substitution to Diphenalenyl Rings (2007)
  • 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
  • Peer Reviewed
• [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems: A New Paradigm for Nonlinear Optics (2007)
  • 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
  • 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
  • Peer Reviewed
• [Journal Article] Syntheses and Characterizations of Acetylene-Linked Bisphenalenyl and Metallic-like Behavior in Its Charge Transfer Complex (2007)
  • Author(s): T. Kubo (1番目), M. Nakano (5番目), 他6名
  • Journal Title: Chem. Asian. J. 2 Pages: 1370-1379
  • Peer Reviewed
• [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure (2007)
  • Author(s): T. Kubo, M. Nakano, 他8名
  • Journal Title: Org. Lett. 9 Pages: 81-84
  • Peer Reviewed
• [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Interactions in Open-Shell Systems : A New Paradigm for Nonlinear Optics (2007)
  • Author(s): M. Nakano, T. Kubo, K. Kamada, 他6名
  • Journal Title: Phys. Rev. Lett. 99 Pages: 33001-33001
  • Peer Reviewed
• [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons (2007)
  • Author(s): K. Kamada, T. Kubo, M. Nakano, 他8名
  • Journal Title: Angew. Chem. Int. Ed. 46 Pages: 3544-3546
  • Peer Reviewed
• [Journal Article] Theoretical study on the second hyperpolarizabilities of phenalenyl radical systems involving acetylene and vinylene linkers: diradical character and spin multiplicity dependences (2007)
  • Author(s): S. Ohta
  • Journal Title: J. Phys. Chem. A 111 Pages: 3633-3641
  • Peer Reviewed
• [Journal Article] Static polarizabilities (α) and second hyperpolarizabilities (γ) of one-dimensional hydrogen-bonded formamides (2007)
  • Author(s): R. Kishi
  • Journal Title: Computing Letters 3 Pages: 251-256
  • Peer Reviewed
• [Journal Article] Second Hyperpolarizability of zethrenes (2007)
  • Author(s): M. Nakano
  • Journal Title: Computing Letters 3 Pages: 333-338
  • 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 Model (2007)
  • Author(s): H. Takahashi
  • Journal Title: Computing Letters 3 Pages: 441-448
  • Peer Reviewed
• [Journal Article] First and second hyperpolarizabilities of donor-acceptor disubstituted diphenalenyl radical systems (2007)
  • Author(s): M. Nakano
  • Journal Title: Chem. Phys. Lett. 443 Pages: 95-101
  • Peer Reviewed
• [Journal Article] Syntheses and Characterizations of Acetylene-Linked Bisphenalenyl and Its Charge Transfer Complex (2007)
  • Author(s): T. Kubo
  • Journal Title: Chemistry-An Asian Journal 2 Pages: 1370-1379
  • Peer Reviewed
• [Journal Article] Relationship between Third-Order Nonlinear Optical Properties and Magnetic Inter actions in Open-Shell Systems: A New Paradigm for Nonlinear Optics (2007)
  • Author(s): M. Nakano
  • Journal Title: Phys. Rev. Lett. 99 Pages: 33001-4
  • Peer Reviewed
• [Journal Article] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of the Nature of the Central Heterocyclic Ring and Substitution to Diphenalenyl Rings (2007)
  • Author(s): M. Nakano
  • Journal Title: J. Phys. Chem. A 111 Pages: 9102-9110
  • Peer Reviewed
• [Journal Article] Finite-field spin-flip configuration interaction calculation of the second hyperpolarizabilities of singlet diradical systems (2007)
  • Author(s): R. Kishi
  • Journal Title: J. Chem. Theory Comput. 3 Pages: 1699-1707
  • Peer Reviewed
• [Journal Article] Molecular orientation effects on two-photon absorption spectra of dimer systems (2007)
  • Author(s): S. Ohta
  • Journal Title: Chem. Phys. Lett. 448 Pages: 99-105
  • Peer Reviewed
• [Journal Article] Multi-scale simulations for materials and life sciences (2007)
  • 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
  • Peer Reviewed
• [Journal Article] Second Hyperpolarizabilities (γ) of 1,3-Dipole Systems: Diradical Character Dependence of γ (2007)
  • 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
  • Peer Reviewed
• [Journal Article] Ambipolar Organic Field-Effect Transistors Based on a Narrow Bandgap Semicon ductor with Balanced Hole and Electron Mobilities (2007)
  • Author(s): T. Kubo
  • Journal Title: Appl. Phys. Lett. 11 Pages: 43506-9
  • Peer Reviewed
• [Journal Article] A New Hydrogen-Bonded Charge-Transfer Complex [Ni(Hpydt)_2] TNAP; Synthesis, Structure and Electrical Conductivity (2007)
  • Author(s): S. Shibahara
  • Journal Title: Inorg. Chem. Comm. 10 Pages: 860-862
  • 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 Complexes (2007)
  • Author(s): S. Shibahara
  • Journal Title: Inorg. Chem. 46 Pages: 1162-1170
  • Peer Reviewed
• [Journal Article] CASCI-DFT study of the phenalenyl radical system. (2007)
  • Author(s): T. Ukai
  • Journal Title: Polyhedron 26 Pages: 2313-2319
  • Peer Reviewed
• [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure (2007)
  • Author(s): T. Kubo
  • Journal Title: Org. Lett. 9 Pages: 81-84
  • Peer Reviewed
• [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons (2007)
  • Author(s): K. Kamada
  • Journal Title: Angew. Chem. Int. Ed. 46 Pages: 3544-3546
  • Peer Reviewed
• [Journal Article] Singlet Biradical Character of Phenalenyl-based Kekule Hydrocarbon with Naphthoquinoid Structure (2007)
  • Author(s): T.Kubo
  • Journal Title: Org. Lett. 9 Pages: 81-84
• [Journal Article] Origin of the enhancement of the second hyperpolarizability of singlet diradical systems with intermediate diradical character (2006)
  • 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
  • Peer Reviewed
• [Journal Article] Second hyperpolarizabilities of polycyclic aromatic hydrocarbons involving phenalenyl radical units (2006)
  • Author(s): Masayoshi Nakano
  • Journal Title: Chem. Phys. Lett. 418 Pages: 142-147
• [Journal Article] Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling (2006)
  • Author(s): Suguru Ohta
  • Journal Title: Chem. Phys. Lett. 419 Pages: 70-74
• [Journal Article] Intermolecular interaction effects on second hyperpolarizabilities of clusters including charged species (2006)
  • Author(s): Masayoshi Nakano
  • Journal Title: Journal of Computational Methods in Sciences and Engineering (JCMSE) 6 Pages: 211-222
• [Journal Article] Second hyperpolarizability of phenalenyl radical system involving acetylene π-conjugated bridge (2006)
  • Author(s): Suguru Ohta
  • Journal Title: Chem. Phys. Lett. 420 Pages: 432-437
• [Journal Article] Second Hyperpolarizabilities (γ) of Bisimidazole and Bistriazole Benzenes : Diradical Character, Charged State and Spin State Dependences (2006)
  • Author(s): Masayoshi Nakano
  • Journal Title: J. Phys. Chem. A 110 Pages: 74113-74113
• [Journal Article] Second hyperpolarizabilities of polycyclic diphenalenyl radicals : effects of para/ortho-quinoid structures and central ring modification (2006)
  • Author(s): Masayoshi Nakano
  • Journal Title: Chem. Phys. Lett. 429 Pages: 174-179
• [Journal Article] Second hyperpolarizabilities (γ) of open-shell singlet one-dimensional systems : Intersite interaction effects on the average diradical character and size dependences ofγ (2006)
  • Author(s): M.Nakano
  • Journal Title: Chem. Phys. Lett. 432 Pages: 473-479
• [Journal Article] Strong two-photon absorption of singlet diradical hydrocarbons
  • Author(s): K.Kamada
  • Journal Title: Angew. Chem. Int. Ed. (In press)
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Advances in the structure-property relationship of molecular two-photon materials: possibilities of the electronic open-shell species (2008)
  • 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
• [Presentation] Advances in the structure-property relationship of molecular two-photon materials : possibilities of the electronic open-shell species (2008)
  • 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
• [Presentation] Advances in the structure-property relationship of molecular two-photon materials : possibilities of the electronic open-shell species (2008)
  • Author(s): K. Kamada
  • Organizer: International Workshop on Emerging Materials & Active Polymer Patterning
  • Place of Presentation: Seoul, Korea
  • Year and Date: 2008-11-20
• [Presentation] Coexistence of Intra and Intermolecular Spin-Spin Interaction of Phenalenyl-Based Delocalized Singlet Biradical (2008)
  • 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
• [Presentation] Theoretical Study on Open-Shell Nonlinear Optical Molecular Systems and a Development of a Novel Computational Scheme of Exciton Dynamics (2008)
  • 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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Third-Order Nonlinear Optical Properties of Open-Shell Systems: Diradical Character and Spin State Dependences (2008)
  • Author(s): M. Nakano
  • Organizer: ICCMSE 2008, highlighted keynote lecture, Hotel Belvedere Imperial
  • Place of Presentation: Crete, Greece
  • Year and Date: 2008-09-26
• [Presentation] Third-Order Nonlinear Optical Properties of Open-Shell Systems : Diradical Character and Spin State Dependences (2008)
  • Author(s): M. Nakano
  • Organizer: ICCMSE highlighted keynote lecture, Hotel Belvedere Imperial
  • Place of Presentation: Crete, Greece
  • Year and Date: 2008-09-26
• [Presentation] Third-Order Nonlinear optical Properties of Open-Shell Systems : Diradical Character and Spin State Dependences (2008)
  • Author(s): M. Nakano
  • Organizer: ICCMSE 2008
  • Place of Presentation: Hotel Belvedere Imperial, Greece
  • Year and Date: 2008-09-25
• [Presentation] Quantum Master Equation Approach to Exciton Recurrence Motion in A Ring-Shaped Aggregate Complex Induced by Circular-Polarized Laser Field (2008)
  • Author(s): M. Nakano
  • Organizer: ICCMSE 2008
  • Place of Presentation: Hotel Belvedere Imperial, Greece
  • Year and Date: 2008-09-25
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Second hyperpolarizabilities of open-shell singlet molecular aggregates composed of diphenalenyl diradicals (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
• [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
• [Presentation] Diradical character and spin density distribution of nanographenes (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
• [Presentation] Exciton Dynamics in Molecular Aggregates by Circular-Polarized Laser Field (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
• [Presentation] Ab initio MO-CI based quantum master equation approach : applications of a novel exciton expression based on the polarizability density (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
• [Presentation] Strong Intermolecular Spin-Spin Interaction of Phenalenyl-Based Singlet Biradical Having Weak Intramolecular Spin-Spin Interaction (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
• [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
• [Presentation] Ab initio MO-CI based master equation study on energy migration dynamics in nanostar Phenylacetylene dendrimers : effects of non-planar conformations (2008)
  • Author(s): M. Nakano
  • Organizer: ICSM2008
  • Place of Presentation: Porto de Galinhas, Brazil
  • Year and Date: 2008-07-06
• [Presentation] Third-order nonlinear optical properties of open-shell singlet molecular aggregates composed of diphenalenyl diradicals (2008)
  • Author(s): M. Nakano
  • Organizer: ICSM2008
  • Place of Presentation: Porto de Galinhas, Brazil
  • Year and Date: 2008-07-06
• [Presentation] Control of third-order nonlinear optieal properties of singlet diradical square planar nickel complexes involving o-semiquinonate type ligands : a theoretical study (2008)
  • Author(s): M. Nakano
  • Organizer: ICSM2008
  • Place of Presentation: Porto de Galinhas Brazil
  • Year and Date: 2008-07-06
• [Presentation] Theoretical Study on Nonlinear Optical Properties of Diradical Molecular Systems (2008)
  • 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
• [Presentation] Ab initio MO-CI based quantum master equation approach to exciton dynamics in supermolecular systems (2008)
  • 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
• [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
• [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
• [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
• [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
• [Presentation] Long-range corrected DFT calculations of static second hyperpolarizabilities of singlet diradical systems (2008)
  • Author(s): M. Nakano
  • Organizer: ICONO10/ICOPE2008
  • Place of Presentation: La Fonda Hotel, US
  • Year and Date: 2008-05-18
• [Presentation] Static polarizabilities and second hyperpolarizabilities of one-dimensional hydrogen-bonded 4-pyridones (2008)
  • Author(s): M. Nakano
  • Organizer: ICONO10/ICOPE2008
  • Place of Presentation: La Fonda Hotel, US
  • Year and Date: 2008-05-18
• [Presentation] Theoretical study on the second hyperpolarizability of open-shell-singlet diphenalenyl radical dimmer (2008)
  • Author(s): M. Nakano
  • Organizer: ICONO10/ICOPE2008
  • Place of Presentation: La Fonda Hotel. US
  • Year and Date: 2008-05-18
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [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
• [Presentation] Enhanced Two-Photon Absorption of Singlet Diradical Systems (2008)
  • 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
• [Presentation] Ab initio MO-CI based quantum master equation approach to energy migration dynamics in nanostar dendrimers (2008)
  • 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
• [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
• [Presentation] Theoretical study on open-shell nonlinear optical systems: relationship between magnetic interaction and second hyperpolarizability (2007)
  • 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
• [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
• [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
• [Presentation] Second Hyperpolarizabilities (γ) of 1, 3-Dipole Systems: Diradical Charecter Dependence ofγ (2007)
  • 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
• [Presentation] Second Hyperpolarizabilities (γ) of 1, 3-Dipole Systems: Diradical Charecter Dependence of γ (2007)
  • Author(s): Masayaoshi Nakano
  • Organizer: ICCMSE 2007
  • Place of Presentation: Corfu, Greece
  • Year and Date: 2007-09-26
• [Presentation] Spin State Dependence of Second Hyperpolarizabilities of Zethrenes (2007)
  • Author(s): Masayaoshi NAKANO
  • Organizer: ICCMSE 2007
  • Place of Presentation: Corfu, Greece
  • Year and Date: 2007-09-26
• [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
• [Presentation] Theoretical Study on Open-Shel Nonlinear Optical Molecular Systems (2007)
  • 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
• [Presentation] Singlet Biradical Hydrocarbons Based on Bisphenalenyl: Molecular Designs, Syntheses, and Functional Properties (2007)
  • 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
• [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
• [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
• [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
• [Presentation] Long-Range Corrected DFT Calculation of Static Second Hyperpolariz abilities of Singlet Diradical Systems (2007)
  • Author(s): Masayoshi Nakano
  • Organizer: DFT2007
  • Place of Presentation: Tropen Museum, Amsterdam, the Netherland
  • Year and Date: 2007-08-27
• [Presentation] Theoretical Study on Open-shell Nonlinear Optical Systems (2007)
  • 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
• [Presentation] Theoretical Study on the Nonlinear Optical Properties of Hydrogen-Bonded One-Dimensional Chains Composed of π-Conjugated Monomers (2007)
  • 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
• [Presentation] Finite-field spin-flip CI calculation of the second hyperpolarizabilities of singlet diradical systems (2007)
  • 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
• [Presentation] Spatial analysis of dynamic hyperpolarizability of linear molecular aggregates based on Numerical Coupled Liouville Approach (2007)
  • 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
• [Presentation] Theoretical study on second hyperpolarizability of open-shell singlet one-dimensional systems with a charged defect (2007)
  • 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
• [Presentation] Synthetic study toward bicycle [n. n. n] thiophenes (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-24
• [Presentation] Synthesis and chiroptical properties of phenyl-(2-pyridyl)-(3-pyridyl)-(4-pyridyl) methane (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-24
• [Presentation] Elucidation of the electronic structure of phenalenyl-based singlet biradical having an anthraquinoid moiety (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-24
• [Presentation] Synthesis and temperature-dependent redox properties of a novel p-quaterquinone integrated with dithieno-annelated bis (spirodienone) skeleton (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-24
• [Presentation] Theoretical Study on the Nonlinear Optical Properties of Hydrogen-Bonded One-Dimensional Chains Composed of π-Conjugated Monomers (2007)
  • 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
• [Presentation] Second Hyperpolarizabilities of Singlet Polycyclic Diphenalenyl Radicals: Effects of Central Heterocyclic Ring Modification and Substitution to Diphenalenyl Rings (2007)
  • 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
• [Presentation] Isolable Singlet Biradicals Based on Bisphenalenyl: Intra-and Intermolecular Spin-Spin Interaction (2007)
  • 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
• [Presentation] Synthesis and properties of p-extended trimethylenemethane based on tris (4-pyridyl) methane (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-23
• [Presentation] Syntheses and properties of bis (3,4-pyridinedithiolate) metal complexes possessing dissociative protons (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Novel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-23
• [Presentation] Synthesis of macrocyclic cyclophanes involving tetraphenyl units via McMurry coupling (2007)
  • Author(s): Takashi KUBO
  • Organizer: 12th International Symposium on Vovel Aromatic Compounds
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-07-23
• [Presentation] Two-photon absorption property of singlet diradical systems (2007)
  • 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
• [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
• [Presentation] Singlet biradical hydrocarbons based on bisphenalenyl: Syntheses and physical properties associated with biradical character (2007)
  • 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
• [Presentation] Theoretical and Computational Design of Open-Shell Nonlinear Optical Systems, M. Nakano, Multi-scale and Large-scale Simulation in DoD Materials Science (2007)
  • Author(s): M. Nakano
  • Organizer: Cooporation, McLean
  • Place of Presentation: VA, USA(Invited)
  • Year and Date: 2007-06-14
• [Presentation] Theoretical and Computational Design of Open-Shell Nonlinear Optical Systems (2007)
  • 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
• [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
• [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
• [Presentation] Theoretical Study on the Second hyperpolarizabiliies of Diphenalenyl Radical Systems (2006)
  • 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
• [Book] みず学への誘い (2008)
  • Author(s): 中野雅由
  • Publisher: 大阪大学出版会
• [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 Optics (2008)
  • Author(s): K. Kamada
  • Publisher: 0ld City Publishing, Inc.
• [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 Engineering (2006)
  • Author(s): George Maroulis
  • Total Pages: 679
  • Publisher: Imperial College Press
• [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
• [Book] Chapter 10. Third-order nonlinear optical properties of open-shell and/or charged molecular systems
  • Author(s): M. Nakano
• [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
• [Remarks]
  • URL: http://www.cheng.es.osaka-u.ac.jp/nakanolabo/index.html
• [Remarks]
  • URL: http://unit.aist.go.jp/photonics/ci/group/PPG.html
• [Remarks]
  • URL: http://www.chem.sci.osaka-u.ac.jp/lab/kubo/Start.html
• [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
• [Remarks]
  • URL: http://koho.jim.osaka-u.ac.jp/pub/00001002/00000135.html
• [Remarks]
  • URL: http://www.es.osaka-u.ac.jp/news/500.html
• [Remarks]
  • URL: http://www.osaka-u.ac.jp/jp/press/now/pdf/now100.pdf