ISHIDA Toshimasa 石田俊正

… Alternative Names

石田俊正イシダトシマサ

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Researcher Number	50212890
External Links
Affiliation (based on the past Project Information) *help	2012: 京都大学, 福井謙一記念研究センター, 准教授 2010: Kyoto University, 福井謙ー記念研究センター, 准教授 2007 – 2010: Kyoto University, Fukui Institute for Fundamental Chemistry, Assoc. Prof. 2004 – 2006: Kyoto University, Fukui Institute for Fundamental Chemistry, Associate professor, 福井謙一記念研究センター, 助教授 2003: 岡崎国立共同研究機構, 分子科学研究所・分子スケールナノサイエンスセンター, 助教授 … More 2002 – 2003: molecular chemistry institute, 分子科学研究所, 助教授 2002: 岡崎国立共同研究機構, 分子科学研究所・分子スケールナノサイエンスセンター・分子クラスター研究部門, 助教授 2000 – 2001: 静岡大学, 工学部, 助教授 1997 – 1998: 静岡大学, 工学部, 助教授 1995: 静岡大学, 工学部, 助教授 1994: 静岡大学, 教養部, 助教授 1992 – 1993: 静岡大学, 教養部, 助手 Less
Review Section/Research Field	Principal Investigator Physical chemistry / Physical chemistry / 光生命科学 / Science and Engineering Except Principal Investigator Chemistry / Science and Engineering / 物性一般(含基礎論) / Physical chemistry
Keywords	Principal Investigator 反応動力学 / ペニングイオン化 / 超励起状態 / ポテンシャル面 / 局所内挿法 / H_2O / 原子・分子物理 / H_3O / 分子動力学 / 最小二乗法 … More / ab initio法 / ヘリウム / 水 / 準安定励起原子 / Molecular physics / Molecular mechanics / Quantum Chemistry / Potential energy surface / Reaction dynamics / 内部座標 / 分子力学法 / 化学反応 / 分子力学 / 量子化学 / least-squares fitting / local interpolation / reaction dynamics / ab initio method / Potential energy surfaces / インドリルマレイミド / シミュレーション / 光異性化 / ロドプシン / 非断熱遷移 / 光応答 / 生体分子 / H_4 / ポテンシャル画 / 準安定励起状態 / 自動イオン化 / アルゴン / スピン軌道相互作用 / 超音速自由噴流 / 断面積 / He / 準安定状態 / 回転温度依存性 / 衝突速度依存性 / 古典トラジェクトリ / 分子軌道法 / 連続状態 / 高励起状態 … More Except Principal Investigator 化学反応動力学 / 非断熱遷移 / Multi-dimensional tunneling / Molecular beam / Semiclassical theory / Molecular function / Laser control / Chemical dynamics / Nonadiabatic transition / Zhu-Nakamura theory / フォトクロミズム / 多次元トンネル / 分子ビーム / 半古典論 / 分子機能 / レーザー制御 / 化学動力学 / Zhu-Nakamura理論 / polymer / first-principles calculation / time-dependent density functional theory / density functional theory / coupled-cluster theory / electron correlation / excited state / electronic structure theory / 第一原理電子状態計算 / 局在化基底 / 第一原理 / 電子状態 / 高分子 / 第一原理計算 / 時間依存密度汎関数法 / 密度汎関数法 / 結合クラスター理論 / 電子相関 / 励起状態 / 電子状態理 / 線形応答理論 / 凍結ガウス関数発展法 / レーザー光による反応制御 / 電子励起状態 / 電荷移動反応 / 半古典動力学 / 量子ダイナミクス / 水素吸蔵 / 地球科学 / 大気科学 / 非断熱現象 / 励起分子素過程 Less

生体分子の構造と光応答の相関に対する非断熱遷移動力学法によるアプローチPrincipal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  2012
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Non-adiabatic reaction dynamics simulation of biomolecules responding to photonsPrincipal Investigator
- Principal Investigator
  
  ISHIDA Toshimasa
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  光生命科学
- Research Institution
  Kyoto University
Emergence and Control of Molecular Functions using Nonadiabatic Phenomena
- Principal Investigator
  
  NANBU Shinkoh
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University
Development of generation of large-male potential energy surfaces num local interpolation and molecular mechanicsPrincipal Investigator
- Principal Investigator
  
  ISHIDA Toshimasa
- Project Period (FY)
  2004 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Studies of Non-adiabatic Chemical Dynamics based on the Zhu-Nakamura Theory
- Principal Investigator
  
  NAKAMURA Hiroki
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Specially Promoted Research
- Review Section
  
  Science and Engineering
  Chemistry
- Research Institution
  Institute for Molecular Science
  Okazaki National Research Institutes
New methods for electronic excited states of solids using localized basis
- Principal Investigator
  
  KATAGIRI Hideki
- Project Period (FY)
  2002 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  物性一般(含基礎論)
- Research Institution
  National Institute of Advanced Industrial Science and Technology
ab initio法と融合したポテンシャル面自動生成に関する研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Shizuoka University
Development and applications of an interpolation scheme of potential energy surfaces which can be combined with latest ab initio methodologiesPrincipal Investigator
- Principal Investigator
  
  ISHIDA Toshimasa
- Project Period (FY)
  2000 – 2002
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Institute for Molecular Science
  Shizuoka University
超励起状態からの自動イオン化の理論的研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Shizuoka University
超励起状態の関与する化学反応の理論的研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Shizuoka University
高励起・連続状態の関与する反応に関する理論的研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Shizuoka University
高励起・連続状態の関与する反応に関する量子化学的ならびに動力学的研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Shizuoka University
高励起・連続状態の関与する反応に関する量子化学的ならびに動力学的研究Principal Investigator
- Principal Investigator
  
  石田俊正
- Project Period (FY)
  1992
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Shizuoka University

All 2014 2012 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Patent

[Journal Article] A model theoretical study on ligand exchange reactions of CooA2014
- Author(s)
  T. Ishida, S. Aono
- Journal Title
  
  Phys. Chem. Chem. Phys
  
  Volume: 15 Issue: 16 Pages: 6139-6148
- DOI
  10.1039/c3cp43253j
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23350084, KAKENHI-PROJECT-24550021
[Journal Article] QM/MM Trajectory Surface Hopping Approach to Photoisomerization of Rhodopsin and Isorhodopsin: The Origin of Faster and More Efficient Isomerization for Rhodopsin2012
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, and Toshimasa Ishida
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 116 Issue: 28 Pages: 8009-8023
- DOI
  10.1021/jp212378u
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550021
[Journal Article] Photochemical dynamics of indolylmaleimide derivatives2012
- Author(s)
  T. Murakami, M. Nakazono, A. Kondorskiy, T. Ishida, S. Nanbu
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 14 Issue: 32 Pages: 11546-11555
- DOI
  10.1039/c2cp41269a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23590043, KAKENHI-PROJECT-24550021
[Journal Article] Unusually High Aromaticity and Diatropicity of Bond-Alternate Benzene2010
- Author(s)
  Aihara, Jun-ichi, Ishida, Toshimasa
- Journal Title
  
  J. Phys. Chem. A 114
  
  Pages: 1093-1097
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Future Perspectives of Nonadiabatic Chemical Dynamics2010
- Author(s)
  Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  Chemical Science 1
  
  Pages: 663-674
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Unusually High Aromaticity and Diatropicity of Bond-Alternate Benzene2010
- Author(s)
  Aihara, Jun-ichi, Ishida, Toshimasa
- Journal Title
  
  J.Phys.Chem.A 114(2)
  
  Pages: 1093-1097
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Future Perspectives of Nonadiabatic Chemical Dynamics2010
- Author(s)
  Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  Chemical Science
  
  Volume: 1(6) Pages: 663-674
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Nonadiabatic ab Initio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal2010
- Author(s)
  Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
- Journal Title
  
  J.Phys.Chem.A
  
  Volume: 114(32) Pages: 8190-8201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylid ene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010
- Author(s)
  K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
- Journal Title
  
  Physica B 405
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Unusually High Aromaticity and Diatropicity of Bond-Alternate Benzene2010
- Author(s)
  Aihara, Jun-ichi, Ishida, Toshimasa
- Journal Title
  
  J.Phys.Chem.A 114
  
  Pages: 1093-1097
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010
- Author(s)
  K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
- Journal Title
  
  Physica B
  
  Volume: 405
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Nonadiabatic ab lnitio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal2010
- Author(s)
  Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
- Journal Title
  
  J.Phys.Chem.A 114(32)
  
  Pages: 8190-8201
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Journal Title
  
  J.Phys.Chem.A 113
  
  Pages: 4356-4366
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Aromaticity of neutral and doubly charged polyacenes2009
- Author(s)
  Toshimasa Ishida, Jun-ichi Aihara
- Journal Title
  
  Phys.Chem.Chem.Phys. 11
  
  Pages: 7197-7201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Detection of Free Monomeric Silver(I) and Gold(I) Cyanides,AgCN and AuCN : Microwave Spectra and Molecular Structure2009
- Author(s)
  Toshiaki Okabayashi, Emi Y.Okabayashi, Fumi Koto, Toshimasa Ishida, Mitsutoshi Tanimoto
- Journal Title
  
  J. Am. Chem. Soc. 131
  
  Pages: 11712-11718
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Aromaticity of neutral and doubly charged polyacenes2009
- Author(s)
  Toshimasa Ishida, Jun-ichi Aihara
- Journal Title
  
  Phys.Chem.Chem.Phys. 11
  
  Pages: 7197-7201
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009
- Author(s)
  T. Ishida, S. Nanbu, H. Nakamura
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 4356-4366
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Detection of Free Monomeric Silver(I) and Gold(I) Cyanides, AgCN and AuCN : Microwave Spectra and Molecular Structure2009
- Author(s)
  Toshiaki Okabayashi, Emi Y.Okabayashi, Fumi Koto, Toshimasa Ishida, Mitsutoshi Tanimoto
- Journal Title
  
  J.Am.Chem.Soc. 131(33)
  
  Pages: 11712-11718
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Aromaticity of neutral and doubly charged polyacenes2009
- Author(s)
  Toshimasa Ishida, Jun-ichi Aihara
- Journal Title
  
  Phys. Chem. Chem. Phys. 11
  
  Pages: 7197-7201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Detection of Free Monomeric Silver(I)and Gold(I)Cyanides, AgCN and AuCN : Microwave Spectra and Molecular Structure2009
- Author(s)
  Toshiaki Okabayashi, Emi Y.Okabayashi, Fumi Koto, Toshimasa Ishida, Mitsutoshi Tanimoto
- Journal Title
  
  J.Am.Chem.Soc. 131
  
  Pages: 11712-11718
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 4356-4366
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Journal Title
  
  J.Phys.Chem.A 113(16)
  
  Pages: 4356-4366
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules2008
- Author(s)
  Aihara, Kanno, and Ishida
- Journal Title
  
  J.Phys.Chem.A 112
  
  Pages: 818-825
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Collision Energy Dependence of the O(^1D)+HCl→OH+Cl(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  Hiroahi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V. Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 818-825
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Collision Energy Dependence of the O(1D)+HCl→OH+Cl(2P)Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  Hiroshi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V. Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 818-825
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Collision Energy Dependence of the O(^1D)+HCl→OH+Cl(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  Hiroshi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V.Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
- Journal Title
  
  J.Phys.Chem.A 112
  
  Pages: 818-825
- Data Source
  KAKENHI-PROJECT-20608003
[Journal Article] Collision Energy Dependence of the O (1D)+HCl→OH+Cl(2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  H. Konguchi, T. Suzuki, S. Nanbu, T. Ishida, G.V. Mil'nikov, P. Oloyede, H. Nakamura
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 818-825
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Collision Energy Dependence of the O(^1D)+HC1 ->OH+C1(^2P)Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  H. Kohguchi, T. Suzuki, S. Nanbu, T. Ishida, G. V. Mil'nikov, P. Oloyede, H. Nakamura
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 818-825
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Collision Energy Dependence of the O('D) + HCI → OH + C1(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008
- Author(s)
  Hiroshi, Kohguchi, Toshinori, Suzuki, Shinkoh, Nanbu, Toshimasa, Ishida, Gennady, V., Mil'nikov, Ponmile, Oloyede, Hiroki, Nakamura
- Journal Title
  
  J. Phys. Chem. A 112
  
  Pages: 818-825
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)^2 Rule2007
- Author(s)
  Toshimasa Ishida, Hideaki Kanno, Jun-ichi Aihara
- Journal Title
  
  Bull. Chem. Soc. Jpn. 80(11)
  
  Pages: 2145-2148
- NAID
  10019795082
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Polycyclic Aromatic Hydrocarbon Molecular Ions2007
- Author(s)
  T. Ishida, H. Kanno and J. Aihara
- Journal Title
  
  Polish J. Chem. 81
  
  Pages: 699-710
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity2007
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida, and Hideaki Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn. 80(8)
  
  Pages: 1518-1521
- NAID
  10019848311
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules2007
- Author(s)
  Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
- Journal Title
  
  J. Phys. Chem. A 111
  
  Pages: 8873-8876
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Polycyclic Aromatic Hydrocarbon Molecular Ions2007
- Author(s)
  Ishida, Kanno, Aihara
- Journal Title
  
  Polish J.Chem 81
  
  Pages: 699-710
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity2007
- Author(s)
  Aihara, Ishida, and Kanno
- Journal Title
  
  Bull.Chem.Soc.Jpn 80
  
  Pages: 1518-1521
- NAID
  10019848311
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions2007
- Author(s)
  T. Ishida, H. Kanno and J. Aihara
- Journal Title
  
  Polish J. Chem. 81
  
  Pages: 699-710
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity2007
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida, and Hideaki Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn. 80
  
  Pages: 1518-1521
- NAID
  10019848311
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules2007
- Author(s)
  Jun-ichi, Aihara, Hideaki, Kanno, Toshimasa, Ishida
- Journal Title
  
  J. Phys. Chem. A 111(36)
  
  Pages: 8873-8876
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules2007
- Author(s)
  Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
- Journal Title
  
  J. Phys. Chem. A 111(36)
  
  Pages: 8873-8876
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)^2 Rule2007
- Author(s)
  Toshimasa, Ishida, Hideaki, Kanno, Jun-ichi, Aihara
- Journal Title
  
  Bull. Chem. Soc. Jpn 80(11)
  
  Pages: 2145-2148
- NAID
  10019795082
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Kinetic Stability of Gold Fullerenes and the 2 (N+1) 2 Rule2007
- Author(s)
  Toshimasa Ishida, Hideaki Kanno, Jun-ichi Aihara
- Journal Title
  
  Bull. Chem. Soc. Jpn. 80
  
  Pages: 2145-2148
- NAID
  10019795082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions2007
- Author(s)
  T., Ishida, H., Kanno, J., Aihara
- Journal Title
  
  Polish J. Chem 81
  
  Pages: 699-710
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity2007
- Author(s)
  Jun-ichi, Aihara, Toshimasa, Ishida, Hideaki, Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn 80(8)
  
  Pages: 1518-1521
- NAID
  10019848311
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)2 Rule2007
- Author(s)
  Ishida, Kanno, Aihara
- Journal Title
  
  Bull.Chem.Soc.Jpn. 80
  
  Pages: 2145-2148
- NAID
  10019795082
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19350013
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vunyl Radical C_2H_32006
- Author(s)
  G.V.Mii'nikov, T.Ishida, H.Nakamura
- Journal Title
  
  J. Phys. Chem. A110
  
  Pages: 5430-5435
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_32006
- Author(s)
  Gennady V. Mil'nikov, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A. 110
  
  Pages: 5430-5435
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Atomic Hydrogen Transition through Five-Membered Carbon Ring by the Mechanism of Nonadiabatic Tunneling2006
- Author(s)
  S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  Chem.Phys. 324
  
  Pages: 721-732
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization2006
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida and Hiroki Nakamura
- Journal Title
  
  J. Chem. Phys. 124
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization2006
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  J. Chem. Phys. 124
  
  Pages: 84313-84313
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Laser Control of Reactions of Photo-Switching Functional Molecules2006
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  J. Chem. Phys. 125
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Laser control of reactions of photoswitching functional molecules2006
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 34307-34307
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C2H32006
- Author(s)
  Gennady V.Mi1'nikov, Toshimasa Ishida, Hiroki Nakamura
- Journal Title
  
  J. Phys. Chem. A. 110
  
  Pages: 5430-5430
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling2006
- Author(s)
  Shinkoh NANBU, Toshimasa ISHIDA, and Hiroki NAKAMURA
- Journal Title
  
  Chem. Phys. 324(2-3)
  
  Pages: 721-732
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Atomic Hydrogen Transition through Five-Membered Carbon Ring by the Mechanism of Nonadiabatic Tunneling2006
- Author(s)
  S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  Chem. Phys. 324
  
  Pages: 721-732
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vunyl Radical C_2H_32006
- Author(s)
  G.V.Mil'nikov, T.Ishida, H.Nakamura
- Journal Title
  
  J.Phys.Chem. A110
  
  Pages: 5430-5435
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Laser control of reactions of photoswitching functional molecules2006
- Author(s)
  Hiroyuki, Tamura, Shinko, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Journal Title
  
  J. Chem. Phys 125
  
  Pages: 34307-34307
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Ab Initio Nonadiabatic Quantum Dynamics of Cyclohexadiene / Hexatriene Ultrafast Photoisomerization2006
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  J. Chem. Phys. 124
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Laser control of reactions of photoswitching functional molecules2006
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida and Hiroki Nakamura
- Journal Title
  
  J. Chem. Phys. 125
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Laser Control of Reactions of Photo-Switching Functional Molecules2006
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  J.Chem.Phys. 125
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization2006
- Author(s)
  Hiroyuki, Tamura, Shinko, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Journal Title
  
  J. Chem. Phys 124
  
  Pages: 84313-84313
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Ab Initio Nonadiabatic Quantum Dynamics of Cyclohexadiene / Hexatriene Ultrafast Photoisomerization2006
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  J.Chem.Phys. 124
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling2006
- Author(s)
  Shinkoh NANBU, Toshimasa ISHIDA, Hiroki NAKAMURA
- Journal Title
  
  Chem. Phys. 324
  
  Pages: 721-721
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_32006
- Author(s)
  Gennady, V., Mil'nikov, Toshimasa, Ishida, Hiroki, Nakamura
- Journal Title
  
  J. Phys. Chem. A 110
  
  Pages: 5430-5435
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling2006
- Author(s)
  Shinkoh, NANBU, Toshimasa, ISHIDA, Hiroki, NAKAMURA
- Journal Title
  
  Chem. Phys 324(2-3)
  
  Pages: 721-732
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Ab initio potential energy surfaces for the Cyclohexadiene/Hexatriene Photochemical Interconversion2005
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  Chem.Phys.Lett. 401
  
  Pages: 487-491
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromaticity of Planar Boron Clusters Confirmed2005
- Author(s)
  J.Aihara, H.Kanno, T.Ishida
- Journal Title
  
  J.Am.Chem.Soc 127
  
  Pages: 13324-13330
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] One-pot Synthesis of Fused Aromatics possessing Helical Chirality and Assignment of Absolute Configuration Asssisted by Theoretical Circular Dichroism2005
- Author(s)
  Yasutaka Tanaka, Masashi Watanabe, Toshimasa Ishida
- Journal Title
  
  Journal of Synthetic Organic Chemistry, Japan 63(8)
  
  Pages: 798-806
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromaticity of Planar Boron Clusters Confirmed2005
- Author(s)
  J.Aihara, H.Kanno, T.Ishida
- Journal Title
  
  J. Am. Chem. Soc. 127
  
  Pages: 13324-13330
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] らせん不正を有する宿業芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法2005
- Author(s)
  田中康隆, 渡辺真志, 石田俊正
- Journal Title
  
  有機合成有機合成化学協会誌 63巻8号
  
  Pages: 798-806
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] らせん不斉を有する縮合芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法巻8号2005
- Author(s)
  田中康隆、渡辺真志、石田俊正
- Journal Title
  
  有機合成有機合成化学協会誌 63(8)
  
  Pages: 798-806
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] らせん不正を有する宿業芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法2005
- Author(s)
  甲中康隆, 渡辺真志, 石田俊正
- Journal Title
  
  有機合成有機合成化学協会誌 63・8
  
  Pages: 798-806
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A theoretical study of Cycloheacadiene/Hexatriene photochemical interconversion : multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays2005
- Author(s)
  Hiroyuki, Tamura, Shinko, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
- Journal Title
  
  Chem. Phys. Lett 401(4-6)
  
  Pages: 487-491
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] One-pot Synthesis of Fused Aromatics possessing Helical Chirality and Assignment of Absolute Configuration Asssisted by Theoretical Circular Dichroism, (In Japanese)2005
- Author(s)
  Yasutaka, Tanaka, Masashi, Watanabe, Toshimasa, Ishida
- Journal Title
  
  Journal of Synthetic Organic Chemistry, Japan 63(8)
  
  Pages: 798-806
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A theoretical study of Cyclohexadiene/Hexatriene Photochemical Interconversion : Multireference Configuration Interaction Potential Energy surfaces and Transition Probabilities for the Radiationless decays2005
- Author(s)
  H.Tamura, S.Nanbu, H.Nakamura, T.Ishida
- Journal Title
  
  Chem.Phys.Lett. 401
  
  Pages: 487-491
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays2005
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Hiroki Nakamura, and Toshimasa Ishida
- Journal Title
  
  Chem. Phys. Lett. 401(4-6)
  
  Pages: 487-491
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A Theoretical Study of Cyclohexadiene / Hexatriene Photochemical Interconversion : Multi-reference Configuration Interaction Potential Energy Surfaces and Transition Probabilities for the Radiationless Decays2005
- Author(s)
  H.Tamura, S.Nanbu, H.Nakaxamura, T.Ishida
- Journal Title
  
  Chem. Phys. Lett. 401
  
  Pages: 487-487
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] One-pot Synthesis of Fused Aromatics possessing Helical Chirality and Assignment of Absolute Configuration Asssisted by Theoretical Circular Dichroism2005
- Author(s)
  Yasutaka Tanaka, Masashi Watanabe, Toshimasa Ishida
- Journal Title
  
  Journal of Synthetic Organic Chemistry 63(8)
  
  Pages: 798-806
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromaticity of Planar Boron Clusters Confirmed2005
- Author(s)
  J.Aihara, H.Kanno, T.Ishida
- Journal Title
  
  J.Am.Chem.Soc. 127
  
  Pages: 13324-13330
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromaticity of Planar Boron Clusters Confirmed2005
- Author(s)
  Jun-ichi, Aihara^<a,*>, Hideaki, Kanna^a, Toshimasa, Ishida
- Journal Title
  
  J. Am. Chem. Soc 127
  
  Pages: 13324-13330
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A Theoretical Study of Cyclohexadiene / Hexatriene Photochemical Interconversion : Multi-reference Configuration Interaction Potential Energy Surfaces and Transition Probabilities for the Radiationless Decays2005
- Author(s)
  H.Tamura, S.Nanbu, H.Nakamura, T.Ishida
- Journal Title
  
  Chem.Phys.Lett. 401
  
  Pages: 485-485
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] らせん不正を有する宿業芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法2005
- Author(s)
  田中康隆, 渡辺真志, 石田俊正
- Journal Title
  
  有機合成有機合成化学協会誌 63巻8号
  
  Pages: 798-806
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromaticity of Planar Boron Clusters Confirmed2005
- Author(s)
  Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
- Journal Title
  
  J. Am. Chem. Soc. 127
  
  Pages: 13324-13330
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion : multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays2005
- Author(s)
  H.Tamura, S.Nanbu, H.Nakamura, T.Ishida
- Journal Title
  
  Chem.Phys.Lett. 401・4-6
  
  Pages: 487-491
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  Masashi Watanabe, Hiroshi Suzuki, Yasutaka Tanaka, Toshimasa Ishida, Tatsuo Oshikawa, Akiyoshi Tori-i
- Journal Title
  
  J.Org.Chem. 69(23)
  
  Pages: 7794-7801
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromatic character of annelated dimethyldihydropyrenes2004
- Author(s)
  J.Aihara, T.Ishida
- Journal Title
  
  J.Phys.Org.Chem 17・5
  
  Pages: 393-398
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations2004
- Author(s)
  Mutsumi, Hirama, Toshimasa, Ishida, Jun-ichi, Aihara
- Journal Title
  
  Chem. Phys 305
  
  Pages: 307-316
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselevctivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  M.Watanabe, H.Suzuki, Y.Tanaka, T.Ishida, T.Oshikawa, A.Tori-i
- Journal Title
  
  J.Org.Chem. 69・23
  
  Pages: 7794-7801
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  Masashi, Watanabe, Hiroshi, Suzuki, Yasutaka, Tanaka, Toshimasa, Ishida, Tatsuo, Oshikawa, Akiyoshi, Tori-i
- Journal Title
  
  J. Org. Chem 69(23)
  
  Pages: 7794-7801
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Aromatic character of annelated dimethyldihydropyrenes2004
- Author(s)
  J.Aihara, T.Ishida
- Journal Title
  
  J. Phys. Org. Chem. 17(5)
  
  Pages: 393-398
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] One-pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  Masashi Watanabe, Hiroshi Suzuki, Yasutaka Tanaka, Toshimasa Ishida, Tatsuo Oshikawa, Akiyoshi Tori-i
- Journal Title
  
  J. Org. Chem 69(23)
  
  Pages: 7794-7801
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Possible Molecular Hydrogen Formation Mediated by the Inner Carbon Atoms2004
- Author(s)
  M.Hirama, T.Ishida, J.Aihara
- Journal Title
  
  Chem. Phys. 305
  
  Pages: 307-316
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations2004
- Author(s)
  Mutsumi Hirama, Toshimasa Ishida, Jun-ichi Aihara
- Journal Title
  
  Chem.Phys. 305
  
  Pages: 307-316
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations2004
- Author(s)
  M.Hirama, T.Ishida, J.Aihara
- Journal Title
  
  Chem.Phys. 305・1-3
  
  Pages: 307-316
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Aromatic character of annelated dimethyldihydropyrenes2004
- Author(s)
  Jun-ichi Aihara and Toshimasa Ishida
- Journal Title
  
  J. Phys. Org. Chem. 17(5)
  
  Pages: 393-398
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations2004
- Author(s)
  Mutsumi Hirama, Toshimasa Ishida, Jun-ichi Aihara
- Journal Title
  
  Chem. Phys. 305
  
  Pages: 307-316
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Aromatic character of annelated dimethyldihydropyrenes2004
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida
- Journal Title
  
  J.Phys.Org.Chem. 17(5)
  
  Pages: 393-398
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted- by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  Masashi Watanabe, Hiroshi Suzuki, Yasutaka Tanaka, Toshimasa Ishida, Tatsuo Oshikawa, Akiyoshi Tori-i
- Journal Title
  
  J. Org. Chem. 69(23)
  
  Pages: 7794-7801
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism2004
- Author(s)
  Masashi Watanabe, Hiroshi Suzuki, Yasutaka Tanaka, Toshimasa Ishida, Tatsuo Oshikawa, Akiyoshi Tori-i
- Journal Title
  
  J. Org. Chem. 69(23)
  
  Pages: 7794-7801
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations2004
- Author(s)
  Mutsumi Hirama, Toshimasa Ishida and Jun-ichi Aihara
- Journal Title
  
  Chem. Phys. 305
  
  Pages: 307-316
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Aromatic character of annelated dimethyldihydropyrenes2004
- Author(s)
  Jun-ichi, Aihara, Toshimasa, Ishida
- Journal Title
  
  J. Phys. Org. Chem 17(5)
  
  Pages: 393-398
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] A local interpolation scheme using no derivatives in potential sampling : Application to O(^1D)+H_2 system2003
- Author(s)
  T.Ishida, G.C.Schatz
- Journal Title
  
  J. Comput. Chem. 24(9)
  
  Pages: 1077-1086
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Theoretical Study on Photoinduced Color Change and Charge Transfer of Methylviologen2003
- Author(s)
  T.Ishida, M.Murakami, G.Watanabe, H.Yoshikawa, S.Nishikiori
- Journal Title
  
  Internet Electronic J. Mol. Design 2(1)
  
  Pages: 14-23
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Possible Molecular Hydrogen Formation Mediated by the Radical Cations of Anthracene and Pyrene2003
- Author(s)
  M.Hirama, T.Ishida, J.Aihara
- Journal Title
  
  J. Comput. Chem. 24(12)
  
  Pages: 1378-1382
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Dynamics calculations for the LiH + H【double allow】Li + H_2 reactions using interpolations of accurate ab initio potential energy surfaces2003
- Author(s)
  K.H.Kim, Y.S.Lee, G-H.Jeung, T.Ishida
- Journal Title
  
  J. Chem. Phys. 119(9)
  
  Pages: 4689-4694
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Dynamics calculations for the LiH + H【double arrow】 Li + H_2 reactions using interpolations of accurate ab initio potential energy surfaces2003
- Author(s)
  K.H.Kim, Y.S.Lee, G-H.Jeung, T.Ishida
- Journal Title
  
  J. Chem. Phys. 119(9)
  
  Pages: 4689-4694
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Crystal structure and spectroscopic properties of the CT complex of methyl viologen dication and o-dimethoxybenzene included in a polycyano-polycadmate host, and theoretical study on its red shifted CT absorption2003
- Author(s)
  H.Yoshikawa, S.Nishikiori, T.Ishida
- Journal Title
  
  J. Phys. Chem. B107(35)
  
  Pages: 9261-9267
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Crystal structure and spectroscopic properties of the CT complex of methyl viologen dication and o-dimethoxybenzene included in a polycyano-polycadmate host, and theoretical study on its red shifted CT absorption2003
- Author(s)
  H.Yoshikawa, S.Nishikiori, T.Ishida
- Journal Title
  
  J. Phys. Chem. B 107(35)
  
  Pages: 9261-9267
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Ab initio nonadiabatic quantum dynamics of Cyclohexadiene/hexatriene ultrafast photoisomerization
- Author(s)
  H.Tamura, S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  J.Chem.Phys. (In Press)
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions
- Author(s)
  44.T.Ishida, H.Kanno, J.Aihara
- Journal Title
  
  Polish J. Chem. (印刷中)
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2 H_3
- Author(s)
  G.V.Mil'nikov, T.Ishida, H.Nakamura
- Journal Title
  
  J.Chem.Phys. (In Press)
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida, Hideaki Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn. (印刷中)
- NAID
  10019848311
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Magnetic Resonance Energies of Polycyclic AromaticHydrocarbon Molecular Ions
- Author(s)
  T.Ishida, H.Kanno, J.Aihara
- Journal Title
  
  Polish J. Chem. (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Atomic Hydrogen Transmission through five-membered Carbon Ring by the mechanism of Nonadiabatic Tunneling
- Author(s)
  S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  Chem.Phys. (In Press)
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions
- Author(s)
  T.Ishida, H.Kanno, J.Aihara
- Journal Title
  
  Polish J. Chem. (in press)
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_3
- Author(s)
  G.V.Mil'nikov, T.Ishida, H.Nakamura
- Journal Title
  
  J.Phys.Chem.A 印刷中
- Data Source
  KAKENHI-PROJECT-16550025
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida, Hideaki Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn. (in press)
- NAID
  10019848311
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity
- Author(s)
  Jun-ichi Aihara, Toshimasa Ishida, Hideaki Kanno
- Journal Title
  
  Bull. Chem. Soc. Jpn. (in press)
- NAID
  10019848311
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15002011
[Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling
- Author(s)
  S.Nanbu, T.Ishida, H.Nakamura
- Journal Title
  
  Chem.Phys. 印刷中
- Data Source
  KAKENHI-PROJECT-16550025
[Patent] 光学活性分子の絶対配置決定方法、絶対配置決定装置、及びプログラム2010
- Inventor(s)
  田中康隆・石田俊正
- Industrial Property Rights Holder
  国立大学法人静岡大学
- Filing Date
  2010-07-16
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] A QM/MM Trajectory Surface Hopping Approach to Photoisomerization of Rhodopsin and Isorhodopsin2012
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida,Shinkoh Nanbu and Hiroki Nakamura
- Organizer
  The 14th International Congress of Quantum Chemistry　(ICQC2012)　(I.62)
- Place of Presentation
  Boulder, Colorado, USA
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] シクロヘキサジエン、ヘキサトリエン間の光異性化反応における選択制の理論的研究2012
- Author(s)
  太田亜由美、石田俊正、南部伸孝
- Organizer
  第6回分子科学討論会2012　(3P088)
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] A Non-adiabatic Trajectory Approach to Photoisomerization for Rhodopsin and Isorhodopsin. The Origin of Faster and More Efficient Isomerization in Rhodopsin2012
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, and Toshimasa Ishida
- Organizer
  Congress on Computational Physics 2012
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] 緑色蛍光タンパク質の光励起動力学：QM/MM法による非断熱ab initio分子動力学2012
- Author(s)
  北淑宏、南部伸孝、石田俊正
- Organizer
  第6回分子科学討論会2012　4P124
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] A non-adiabatic QM/MM trajectory approach to photoisomerization of rhodopsin and isorhodopsin. The origin of faster and more efficient isomerization in rhodopsin2012
- Author(s)
  CHUNG, Wilfredo Credo; ISHIDA, Toshimasa; NANBU, Shinkoh; NAKAMURA, Hiroki
- Organizer
  28th Symposium on Chemical Kinetics and Dynamics (2E4)
- Place of Presentation
  福岡県春日
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] ロドプシンとイソロドプシンの光応答性に関する非断熱ab initioトラジェクトリ法による理論的研究2012
- Author(s)
  Wilfredo Credo Chung, 南部伸孝、石田俊正
- Organizer
  第6回分子科学討論会2012　4A04
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] Theoretical study of charge transfer and deactivation process of donor-acceptor type thiophene derivatives2012
- Author(s)
  KOBAYASHI, Osamu; ISHIDA, Toshimasa; NANBU, Shinkoh
- Organizer
  28th Symposium on Chemical Kinetics and Dynamics (2P16)
- Place of Presentation
  福岡県春日
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] Theoretical studies on reactions in biomolecules: photoisomerization of rhodopsins　and ligand exchange in CooA2012
- Author(s)
  石田俊正、Wilfredo C. Chung、南部伸孝、青野重利
- Organizer
  第１０回福井謙一記念研究センターシンポジウム
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] ドナーアクセプター型ポリチオフェン誘導体の電荷移動と失活過程2012
- Author(s)
  小林理、赤間知子、石田俊正、南部伸孝
- Organizer
  第6回分子科学討論会2012　3P111
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] Theoretical study of selectivity mechanism on photoisomerization reaction between cyclohexadiene and hexatriene2012
- Author(s)
  OHTA, Ayumi; ISHIDA, Toshimasa; NANBU, Shinkoh
- Organizer
  28th Symposium on Chemical Kinetics and Dynamics (2P19)
- Place of Presentation
  福岡県春日
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] 蛍光性分子の光化学動力学2012
- Author(s)
  村上龍大、Kondorskiy　Alexey、石田俊正、南部伸孝
- Organizer
  第6回分子科学討論会2012　4E16
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24550021
[Presentation] On the mechanism of the structural decoy action of LMP1 over CD40 in relation to Epstein-Barn virus infection : an essential dynamics approach2010
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida
- Organizer
  第8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(京都)
- Year and Date
  2010-12-03
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Hindered cis-trans isomerization in 9-cis retinal : a two-state model dynamics simulation2010
- Author(s)
  Chung Wilfredo Credo,南部伸孝,石田俊正
- Organizer
  第4回分子科学討論会2010 4PO92
- Place of Presentation
  豊中
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] ヨウ素置換テトラチアフルバレノチオキノン(およびキノン)-1,3-ジチオールメチドの合成、結晶構造解析およびDFT計算による分子間相互作用の評価2010
- Author(s)
  植田一正・鈴木健太・与座健治・石田俊正
- Organizer
  日本化学会第90春季年会(2010)
- Place of Presentation
  大阪
- Year and Date
  2010-03-28
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 9-cisレチナールの光異性化の理論的研究2010
- Author(s)
  Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第13回理論化学討論会1PO3
- Place of Presentation
  札幌
- Year and Date
  2010-05-23
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of 11-cis retinal2010
- Author(s)
  Ishida, Toshimasa ; Chung, Wilfredo Credo ; Nanbu, Shinkoh
- Organizer
  The international Chemical Congress of Pacific Basin Societies (Pacifichem2010)
- Place of Presentation
  Honolulu, Hawaii, USA.
- Year and Date
  2010-10-17
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 9-cisレチナールの光異性化の理論的研究2010
- Author(s)
  Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第13回理論化学討論会1P03
- Place of Presentation
  北海道大学(札幌)
- Year and Date
  2010-05-23
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] ペニングイオン化の理論的研究2010
- Author(s)
  石田俊正
- Organizer
  化学反応のポテンシャル曲面とダイナミックス～加藤重樹先生の足跡をたどって～
- Place of Presentation
  京都大学理学研究科(京都)
- Year and Date
  2010-06-19
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] CooAタンパク質のCOとの一連の反応に関する理論的研究2010
- Author(s)
  石田俊正、青野重利
- Organizer
  第4回分子科学討論会2010 2PO89
- Place of Presentation
  豊中
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal2010
- Author(s)
  Chung, Wilfredo Credo ; Nanbu, Shinkoh, Ishida, Toshimasa
- Organizer
  The international Chemical Congress of Pacific Basin Societies(Pacifichem2010)
- Place of Presentation
  Honolulu, Hawaii, USA.
- Year and Date
  2010-10-18
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Study on Photoionization2010
- Author(s)
  Toshimasa Ishida
- Organizer
  Mindanao State University of Science and Technology
- Place of Presentation
  Cagayan de Oro, Philippines(Invited)
- Year and Date
  2010-09-07
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of 11-cis retinal2010
- Author(s)
  Ishida Toshimasa, Chung, Wilfredo Credo, Nanbu Shinkoh
- Organizer
  The international Chemical Congress of Pacific Basin Societies(Pacifichem2010)
- Place of Presentation
  Honolulu, Hawaii, USA.
- Year and Date
  2010-12-17
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of an isorhodopsin model system based on the Zhu-Nakamura theory2010
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第26回化学反応討論会2P45
- Place of Presentation
  東広島
- Year and Date
  2010-06-03
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Study on Photoionization2010
- Author(s)
  Toshimasa Ishida
- Organizer
  Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology
- Place of Presentation
  Iligan, Philippines(Invited)
- Year and Date
  2010-09-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] CooAタンパク質のCOとの一連の反応に関する理論的研究2010
- Author(s)
  石田俊正、青野重利
- Organizer
  第4回分子科学討論会2010 4P089
- Place of Presentation
  大阪大学(豊中)
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの光異性化の理論的研究-二面角の変化-2010
- Author(s)
  石田俊正, 南部伸孝, 中村宏樹
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第4回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2010-03-04
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Theoretical study on reaction of CooA protein with carbon monoxide2010
- Author(s)
  Ishida, Toshimasa, Aono, Shigetoshi
- Organizer
  第26回化学反応討論会1P46
- Place of Presentation
  広島大学(東広島)
- Year and Date
  2010-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの光異性化の理論的研究-二面角の変化-2010
- Author(s)
  石田俊正、南部伸孝、中村宏樹
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第4回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2010-03-04
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical study on reaction of CooA protein with carbon monoxide2010
- Author(s)
  石田俊正, 青野重利
- Organizer
  第26回化学反応討論会1P46
- Place of Presentation
  東広島
- Year and Date
  2010-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Study on Photoionization2010
- Author(s)
  石田俊正
- Organizer
  Mindanao State University of Science and Technology
- Place of Presentation
  Cagayan de Oro, Philippines
- Year and Date
  2010-09-07
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal2010
- Author(s)
  Chung, Wilfredo Credo, Nanbu Shinkoh, Ishida Toshimasa
- Organizer
  The international Chemical Congress of Pacific Basin Societies (Pacifichem2010)
- Place of Presentation
  Honolulu, Hawaii, USA.
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Study on Photoionization2010
- Author(s)
  石田俊正
- Organizer
  Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology(Invited)
- Place of Presentation
  Iligan, Philippines
- Year and Date
  2010-09-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Hindered cis-trans isomerization in 9-cis retinal : a two-state model dynamics simulation2010
- Author(s)
  Chung Wilfredo Credo, 南部伸孝, 石田俊正
- Organizer
  第4回分子科学討論会2010 4P092
- Place of Presentation
  大阪大学(豊中)
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of an isorhodopsin model system based on the Zhu-Nakamura theory2010
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島大学(東広島)
- Year and Date
  2010-06-03
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの非断熱遷移 ab initio トラジェクトリ計算2009
- Author(s)
  石田俊正, Wilfredo Credo Chung, 南部伸孝, 中村宏樹
- Organizer
  第3回分子科学討論会2009
- Place of Presentation
  名古屋
- Year and Date
  2009-09-24
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 光化学反応のシミュレーション-非断熱遷移反応動力学2009
- Author(s)
  石田俊正
- Organizer
  第7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
- Year and Date
  2009-12-04
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Non-adiabatic ab initio dynamics of a model protonated Schiff base of 9-cisretinal2009
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第7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
- Year and Date
  2009-12-04
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Non-adiabatic ab initio dynamics of Schiff base retinal2009
- Author(s)
  石田俊正
- Organizer
  The 3^<rd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry(Invited)
- Place of Presentation
  Blatislava, Slovak
- Year and Date
  2009-09-10
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Comparative Essential Dynamics of Protein-Protein Interaction2009
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida
- Organizer
  第3回分子科学討論会2009
- Place of Presentation
  名古屋
- Year and Date
  2009-09-24
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 光スィッチ機能分子の反応制御2009
- Author(s)
  田村宏之、南部伸孝、石田俊正、中村宏樹
- Organizer
  分子構造総合討論会2006
- Place of Presentation
  静岡
- Year and Date
  2009-06-21
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009
- Author(s)
  石田俊正、Chung Wilfredo Credo、南部伸孝、中村宏樹
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Year and Date
  2009-05-28
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Analysis of ab initio trajectories in retinal photoisomerization2009
- Author(s)
  Toshimasa Ishida, Wilfredo C.Chung, Shinkoh Nanbu, Hiroki Nakamura
- Organizer
  第25回化学反応討論会
- Place of Presentation
  大宮
- Year and Date
  2009-06-01
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの光異1生化に関するab initio動力学2009
- Author(s)
  石田俊正
- Organizer
  先駆的科学計算に関するフォーラム2009分子科学計算「研究報告及び紹介と新システムの紹介(招待)
- Place of Presentation
  福岡
- Year and Date
  2009-03-09
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Non-adiabatic ab initio dynamics of Schiff base retinal2009
- Author(s)
  Toshimasa Ishida
- Organizer
  The 3^<rd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry(招待講演)
- Place of Presentation
  Blatislava, Slovak
- Year and Date
  2009-09-10
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Non-adiabatic ab initio dynamics of Schiff base retinal2009
- Author(s)
  石田俊正
- Organizer
  The 3^<rd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  Blatislava, Slovak
- Year and Date
  2009-09-10
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009
- Author(s)
  石田俊正、Wilfredo Credo Chung、南部伸孝、中村宏樹
- Organizer
  第3回分子科学討論会2009
- Place of Presentation
  名古屋
- Year and Date
  2009-09-24
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009
- Author(s)
  石田俊正、Wilfredo Credo Chung、南部伸孝、中村宏樹
- Organizer
  第3回分子科学討論会2009 4P095
- Place of Presentation
  名古屋
- Year and Date
  2009-09-04
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Comparative Essential Dynamics of Protein-Protein Interaction2009
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida
- Organizer
  第3回分子科学討論会2009 4P143
- Place of Presentation
  名古屋
- Year and Date
  2009-09-24
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 生体分子光異性化の非断熱遷移トラジェクトリの解析2009
- Author(s)
  石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第3回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2009-03-05
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Non-adiabatic ab initio dynamics of a model protonated Schiff base of 9-cisretinal2009
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  第7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
- Year and Date
  2009-12-04
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009
- Author(s)
  石田俊正、Chung Wilfredo Credo、南部伸孝、中村宏樹
- Organizer
  第12回理論化学討論会1P25
- Place of Presentation
  東京
- Year and Date
  2009-05-28
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Analysis of ab initio trajectories in retinal photoisomerization2009
- Author(s)
  Toshimasa Ishida, Wilfredo C. Chung, Shinkoh Nanbu, Hiroki Nakamura
- Organizer
  第25回化学反応討論会1EO1
- Place of Presentation
  大宮
- Year and Date
  2009-06-01
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Comparative Essential Dynamics of Protein-Protein Interaction2009
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida
- Organizer
  第3回分子科学討論会2009
- Place of Presentation
  名古屋
- Year and Date
  2009-09-24
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールの非断熱遷移 ab initio トラジェクトリ計算2009
- Author(s)
  石田俊正, Chung Wilfredo Credo, 南部伸孝, 中村宏樹
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Year and Date
  2009-05-28
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 光化学反応のシミュレーション-非断熱遷移反応動力学2009
- Author(s)
  石田俊正
- Organizer
  第7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
- Year and Date
  2009-12-04
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] レチナールの光異性化に関するab initio動力学2009
- Author(s)
  石田俊正
- Organizer
  先駆的科学計算に関するフォーラム2009 分子科学計算「研究報告及び紹介と新システムの紹介」
- Place of Presentation
  福岡
- Year and Date
  2009-03-09
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 非断熱遷移トラジェクトリプログラムの開発と生体分子への応用2009
- Author(s)
  石田俊正, 南部伸孝, 中村宏樹
- Organizer
  次世代ナノ統合シミュレーションソフトウェア説明会
- Place of Presentation
  東京
- Year and Date
  2009-03-11
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Analysis of ab initio trajectories in retinal photoisomerization2009
- Author(s)
  Toshimasa Ishida, Wilfredo C.Chung, Shinkoh Nanbu, Hiroki Nakamura
- Organizer
  第25回化学反応討論会
- Place of Presentation
  大宮
- Year and Date
  2009-06-01
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Comparative Essential Dynamics of the Interaction of Human TRAF3 with Human CD40 and Epstein-Barr Virus LMP1 proteins2009
- Author(s)
  Wilfredo Credo Chung, Toshimasa Ishida
- Organizer
  第25回化学反応討論会1P17
- Place of Presentation
  大宮
- Year and Date
  2009-06-01
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonradiative relaxation processes of the 1Bu state of short all-trans polyenes : a theoretical perspective2008
- Author(s)
  Wilfredo C. Chung, Toshimasa Ishida, Shinkoh Nanbu
- 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
- Year and Date
  2008-12-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2008
- Author(s)
  南部伸孝, 石田俊正, 中村宏樹
- Organizer
  Gordon Research Conference (Molecular & Ionic Clusters)
- Place of Presentation
  Aussois FRANCE
- Year and Date
  2008-09-07
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 水素分子吸蔵へ向けた分子設計2008
- Author(s)
  南部伸孝, 石田俊正, Alexey D. Kondorskiy, 中村宏樹
- Organizer
  第24回化学反応討論会
- Place of Presentation
  札幌
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Nonadiabatic ab initio dynamics of biomolecules2008
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  The second open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology (P72)
- Place of Presentation
  Okazaki
- Year and Date
  2008-03-05
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 生体分子の非断熱遷移トラジェクトリの解析2008
- Author(s)
  石田俊正, 南部伸孝, 中村宏樹
- 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
- Year and Date
  2008-12-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Dynamics of Isomerization of Cycohexadiene to Hexatriene and Laser Control of the Dynamics2008
- Author(s)
  Hiroyuki Tamura, Shinkoh Nanbu, Toshimasa Ishida, Hiroki
- Organizer
  The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 水素分子吸蔵へ向けた分子設計2008
- Author(s)
  南部伸孝, 石田俊正, Alexey D. Kondorskiy, 中村宏樹
- Organizer
  第24回化学反応討論会
- Place of Presentation
  北海道大学
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] レチナール光異性化の非断熱遷移トラジェクトリの解析2008
- Author(s)
  石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
- Organizer
  分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 生体分子の非断熱遷移動力学2008
- Author(s)
  石田俊正、南部伸孝、中村宏樹
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第2回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2008-03-05
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2008
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Ikuo, Tokue, Hiroki, Nakamura
- Organizer
  The second open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology (P73)
- Place of Presentation
  Okazaki
- Year and Date
  2008-03-05
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical investigation of the 1^1B_u lifetime of small all-trans polyenes2008
- Author(s)
  W.C.Chung, Shinkoh Nanbu, T. Ishida
- Organizer
  第24回化学反応討論会2P18
- Place of Presentation
  札幌
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical investigation of the 1^1Bu lifetime of small all-trans polyenes2008
- Author(s)
  W. C. Chung, Shinkoh Nanbu, T. Ishida
- Organizer
  第24回化学反応討論会
- Place of Presentation
  札幌
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Ab inito non-adiabatic dynamics for a biomolecule2008
- Author(s)
  Toshimasa Ishida, Wilfredo C. Chung, Shinkoh Nanbu
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールcis-trans異性化のab initioトラジェクトリ解析2008
- Author(s)
  石田俊正、Wilfredo C.Chung、南部伸孝、中村宏樹
- Organizer
  第24回化学反応討論会1P25
- Place of Presentation
  札幌
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] First Principle Calculation of the S2-S1(1^1B_u-2^1A_g) Conical Intersection of Small All-Trans Polyenes and its Implication to the 1^1B_u Lifetime2008
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC03)
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008
- Author(s)
  Shinkoh Nanbu, Hong ZHANG, Toshimasa Ishida, Sean C.Smith, Hiroki NAKAMURA
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC01)
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナール光異性化の非断熱遷移トラジェクトリの解析2008
- Author(s)
  石田俊正、Wilfredo C.Chung、南部伸孝、中村宏樹
- Organizer
  分子科学討論会2008(3P069)
- Place of Presentation
  福岡
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] The 1^1B_u Lifetime of Short All-Trans Polyenes : A Theoretical Study2008
- Author(s)
  Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC 2008) (PP330)
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] The 1^1Bu Lifetime of Short All-Trans Polyenes : A Theoretical Study2008
- Author(s)
  Wilfredo C. Chung, 南部伸孝, 石田俊正
- Organizer
  分子科学討論会2008
- Place of Presentation
  福岡
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] レチナールcis-trans異性化のab initioトラジェクトリ解析2008
- Author(s)
  石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
- Organizer
  第24回化学反応討論会
- Place of Presentation
  札幌
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] The 1^1Bu Lifetime of Short All-Trans Polyenes : A Theoretical Study2008
- Author(s)
  Wilfredo C. Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC
- Place of Presentation
  Sydney, Australia
- Year and Date
  2008-09-15
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Ab inito non-adiabatic dynamics for a biomolecule2008
- Author(s)
  Toshimasa Ishida, Wilfredo C.Chung, Shinkoh Nanbu
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC02)
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Measurement of the S2 Lifetime of Short All-Trans Polyenes2008
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 4^<th> conference on Coherent Multidimensional Spectroscopy(CMDS2008)
- Place of Presentation
  Kyoto
- Year and Date
  2008-08-28
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Theoretical Measurement of the S_2 Lifetime of Short All-Trans Polyenes2008
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 4th conference on Coherent Multidimensional Spectroscopy (CMDS2008)
- Place of Presentation
  京都
- Year and Date
  2008-08-28
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 水素分子吸蔵へ向けた分子設計2008
- Author(s)
  南部伸孝、石田俊正、Alexey D.Kondorskiy、中村宏樹
- Organizer
  第24回化学反応討論会 1P39
- Place of Presentation
  札幌
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] First Principle Calculation of the S_2-S_1(1^1Bu-2^1Ag) Conical Intersection of Small All-Trans Polyenes and its Implication to the 1^1Bu Lifetime2008
- Author(s)
  Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] Ab initio non-adiabatic dynamics for a biomolecule2008
- Author(s)
  石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
- Organizer
  1^<st> International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(お台場)東京
- Year and Date
  2008-06-04
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 非断熱現象を利用した分子設計2008
- Author(s)
  南部伸孝, 石田俊正, 徳江郁雄, 中村宏樹
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第2回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2008-03-05
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] レチナールcis-trans異性化のab initioトラジェクトリ解析2008
- Author(s)
  石田俊正, WiIfredo C. Chung, 南部伸孝, 中村宏樹
- Organizer
  第24回化学反応討論会
- Place of Presentation
  北海道大学
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008
- Author(s)
  南部伸孝, Hong ZHANG, 石田俊正, sean C. Smith, 中村宏樹
- Organizer
  1^<st> International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(お台場)東京
- Year and Date
  2008-06-04
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2008
- Author(s)
  Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Organizer
  Gordon Research Conference (Molecular & Ionic Clusters)
- Place of Presentation
  Centre Paul Langevin, CAES du CNRS 73500 Aussois FRANCE
- Year and Date
  2008-09-07
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008
- Author(s)
  Shinkoh NANBU, Hong ZHANG, Toshimasa ISHIDA, Sean C. Smith, Hiroki NAKAMURA
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  東京
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-20608003
[Presentation] 水素分子吸蔵へ向けた分子設計2008
- Author(s)
  南部伸孝, 石田俊正, Alexey D. Kondorskiy, 中村宏樹
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 非断熱現象を利用した分子設計2007
- Author(s)
  南部伸孝, Hong ZHANG, 石田俊正, S. C. Smith, 中村宏樹
- Organizer
  分子科学討論会2007
- Place of Presentation
  東北大学
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 非断熱現象を利用した分子設計2007
- Author(s)
  南部伸孝、石田俊正
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第1回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2007-03-05
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2007
- Author(s)
  南部伸孝, Hong Zhang, Sean C. Smith, 石田俊正, 中村宏樹
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  仙台
- Year and Date
  2007-09-20
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] レチナールモデル系の非断熱遷移ab ihitio動力学計算2007
- Author(s)
  石田俊正, 南部伸孝, 中村宏樹
- Organizer
  第23回化学反応討論会
- Place of Presentation
  神戸大学
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 生体分子モデル系の非断熱遷移ab initio動力学2007
- Author(s)
  石田俊正, 南部伸孝, 中村宏樹
- Organizer
  分子科学討論会2007
- Place of Presentation
  東北大学
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Nonadiabatic ab initio dynamics of model biomolecules2007
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  The 1st Meeting of Molecular Science 2007(2P108)
- Place of Presentation
  Sendai
- Year and Date
  2007-09-18
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Ab initio non-adiabatic dynamics of retinal: two step: relaxation on the ground state2007
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
- Organizer
  CBI学会2007年大会
- Place of Presentation
  東広島
- Year and Date
  2007-10-03
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] ポテンシャル生成と反応動力学計算2007
- Author(s)
  石田俊正
- Organizer
  九州大学情報基盤センター主催先駆的科学計算に関するフォーラム2007
- Place of Presentation
  福岡
- Year and Date
  2007-03-13
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 生体分子モデル系の非断熱遷移ab initio動力学2007
- Author(s)
  石田俊正・南部伸孝・中村宏樹
- Organizer
  第1回分子科学討論会2007
- Place of Presentation
  仙台
- Year and Date
  2007-09-18
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] (IMS, Kyoto Univ., Kyushu Univ., IMS) "Dynamics and control of isomerization of cyclohexadiene to hexatriene, "2007
- Author(s)
  Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Organizer
  The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
- Place of Presentation
  北京(中国)
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] 2次チャープ法を用いたレーザー光により最適反応制御2007
- Author(s)
  南部伸孝、石田俊正
- Organizer
  文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発第1回公開シンポジウム
- Place of Presentation
  岡崎
- Year and Date
  2007-03-05
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Quantum Mechanical Investigations of Proton Transfer Dynamics in Green Fluorescent Protein(GFP)2007
- Author(s)
  Hong ZHANG, 南部伸孝, 石田俊正, S. C. Smith, 中村宏樹
- Organizer
  分子科学討論会2007
- Place of Presentation
  東北大学
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Nonadiabatic ab initio dynamics calculation of retinal model systems2007
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  The 23"1 Symposium of Chemical Kinetics and Dynamics"(2P14)
- Place of Presentation
  Kobe
- Year and Date
  2007-06-14
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2007
- Author(s)
  南部伸孝・石田俊正・中村宏樹
- Organizer
  第23回化学反応討論会
- Place of Presentation
  神戸
- Year and Date
  2007-06-13
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical study on photoisomerization of cyclohexadiene to hexatriene2007
- Author(s)
  Toshimasa, Ishida
- Organizer
  The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  Kyoto
- Year and Date
  2007-12-08
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Optimum reaction control by laser radiation employing the second-order chirping method2007
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida
- Organizer
  1st open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology(p16)
- Place of Presentation
  Okazaki
- Year and Date
  2007-03-05
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical study on photoisomerization of cyclohexadiene to hexatriene2007
- Author(s)
  Toshimasa Ishida
- Organizer
  The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
- Place of Presentation
  京都
- Year and Date
  2007-12-08
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Generation of potential energy surfaces and computation of reaction dynamics2007
- Author(s)
  Toshimasa, Ishida
- Organizer
  Forum on frontier scientific computations by Research Institute for Information Technology of Kyushu University : computation in molecular science "Research activity report and toward to introduction of new computer system" Fukuoka
- Place of Presentation
  Invited
- Year and Date
  2007-03-13
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2007
- Author(s)
  Shinkoh, Nanbu, Hong, Zhang, Sean, C., Smith, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  The 1st Meeting of Molecular Science 2007(4E03)
- Place of Presentation
  Sendai
- Year and Date
  2007-09-20
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2007
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  The 23rd Symposium of Chemical Kinetics and Dynamics"(1P30)
- Place of Presentation
  Kobe
- Year and Date
  2007-06-13
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] レチナールモデル系の非断熱遷移ab initio動力学計算2007
- Author(s)
  石田俊正・南部伸孝・中村宏樹
- Organizer
  第23回化学反応討論会
- Place of Presentation
  神戸
- Year and Date
  2007-06-14
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Ab initio non-adiabatic dynamics of retinal:two step:relaxation on the ground state2007
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
- Organizer
  CBI学会2007年大会
- Place of Presentation
  東広島
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Nonadiabatic ab initio dynamics of biomolecules2007
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  The 5th symposium of Fukui Institute for Fundamental Chemistry, Kyoto University(P01)
- Place of Presentation
  Kyoto
- Year and Date
  2007-12-13
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Ab initio non-adiabatic dynamics of retinal : two step : relaxation on the ground state2007
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  2007 Annual Meeting of CBI Society
- Place of Presentation
  Higashi-hiroshima
- Year and Date
  2007-10-03
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 生体分子の非断熱遷移動力学2007
- Author(s)
  石田俊正、南部伸孝、中村宏樹
- Organizer
  第5回福井謙一記念研究センターシンポジウム
- Place of Presentation
  京都
- Year and Date
  2007-12-13
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene2007
- Author(s)
  Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
- Organizer
  The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
- Place of Presentation
  北京、中華人民共和国
- Year and Date
  2007-09-23
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2007
- Author(s)
  南部伸孝, Hong ZHANG, 石田俊正, 中村宏樹
- Organizer
  第23回化学反応討論会
- Place of Presentation
  神戸大学
- Data Source
  KAKENHI-PROJECT-19350013
[Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene2007
- Author(s)
  Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
- Organizer
  The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
- Place of Presentation
  Beijing, China
- Year and Date
  2007-09-23
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene2007
- Author(s)
  Hiroyuki, Tamura, Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
- Organizer
  The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
- Place of Presentation
  Beijing
- Year and Date
  2007-09-23
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2007
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida
- Organizer
  1st open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology(pl 5)
- Place of Presentation
  Okazaki
- Year and Date
  2007-03-05
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation for multi potential energy surfaces2006
- Author(s)
  Toshimasa Ishida, Shinkoh Nanbu
- Organizer
  International Congress of Quantum Chemistry
- Place of Presentation
  Kyoto
- Year and Date
  2006-05-22
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Reaction control of photo-switch functioning molecules2006
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  General Meeting of Molecular Structure 2006(2P061)
- Place of Presentation
  Shizuoka
- Year and Date
  2006-09-21
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Potential energy surfaces : efficient generation and photoisomerization2006
- Author(s)
  Toshimasa, Ishida
- Organizer
  Fukui Institute Seminar
- Place of Presentation
  Kyoto
- Year and Date
  2006-06-26
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2006
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  Symposium on Chemical Kinetics and Dynamics 2006(3A2)
- Place of Presentation
  Okazaki
- Year and Date
  2006-06-09
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] ポテンシャル面:効率的生成法と光異性化反応2006
- Author(s)
  石田俊正
- Organizer
  福井センターセミナー
- Place of Presentation
  京都
- Year and Date
  2006-06-26
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] ポテンシャル面での動力学生成法からフォトクロミズムモデル系まで2006
- Author(s)
  石田俊正
- Organizer
  数理化学研究室公開セミナー
- Place of Presentation
  仙台
- Year and Date
  2006-10-19
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2006
- Author(s)
  南部伸孝・石田俊正・中村宏樹
- Organizer
  第22回化学反応討論会
- Place of Presentation
  岡崎
- Year and Date
  2006-06-09
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation for multi potential energy surfaces2006
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu
- Organizer
  International Congress of Quantum Chemistry
- Place of Presentation
  Kyoto (A117)
- Year and Date
  2006-05-22
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2006
- Author(s)
  南部伸孝、石田俊正、中村宏樹
- Organizer
  分子構造総合討論会2006
- Place of Presentation
  静岡
- Year and Date
  2006-09-21
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Laser control of reactions of photo-switching molecules2006
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  International Congress of Quantum Chemistry
- Place of Presentation
  Kyoto (BI20)
- Year and Date
  2006-05-23
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2006
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  General Meeting of Molecular Structure 2006(2P062)
- Place of Presentation
  Shizuoka
- Year and Date
  2006-09-21
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Reaction dynamics and control of cyclohexadiene-hexatriene isomerization2006
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  25th anniversary symposium of Nobel prize winning by Professor Emeritus Kenichi Fukui (P03)
- Place of Presentation
  Kyoto
- Year and Date
  2006-11-29
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Reaction dynamics on potential energy surfaces-From their generation to photochromism model systems2006
- Author(s)
  Toshimasa, Ishida
- Organizer
  Mathematical chemistry group open seminar Tohoku Univ.
- Place of Presentation
  Sendai
- Year and Date
  2006-10-19
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Laser control of reactions of photo-switching molecules2006
- Author(s)
  Hiroyuki Tamura, Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
- Organizer
  International Congress of Quantum Chemistry
- Place of Presentation
  Kyoto
- Year and Date
  2006-05-23
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサン-ヘキサトリエン異性化反応の動力学と制御2006
- Author(s)
  田村宏之、南部伸孝、石田俊正、中村宏樹
- Organizer
  福井謙一京都大学名誉教授ノーベル化学賞受賞25周年記念シンポジウム
- Place of Presentation
  京都
- Year and Date
  2006-11-29
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation scheme without using ab initio derivatives : IMLS/Shepard scheme2005
- Author(s)
  Toshimasa, Ishida
- Organizer
  Czech-Japan symposium, Prague, Czech
- Place of Presentation
  (Invited)
- Year and Date
  2005-09-14
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2005
- Author(s)
  南部伸孝、石田俊正、中村宏樹
- Organizer
  第21回化学反応討論会
- Place of Presentation
  吹田
- Year and Date
  2005-06-01
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical study on photoisomerization of Cyclohexadiene/hexatriene2005
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  The 3rd symposium of Fukui Institute for Fundamental Chemistry, Kyoto University P4
- Place of Presentation
  Kyoto
- Year and Date
  2005-11-30
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Microwave spectroscopy on gold cyanide AuCN2005
- Author(s)
  Aya, Kotoh, Toshiaki, Okabayashi, Emi, Okabayashi, Toshimasa, Ishida, Mitsutoshi, Tanimoto
- Organizer
  5th Symposium on Molecular Spectroscopy
- Place of Presentation
  Tokyo
- Year and Date
  2005-05-15
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion2005
- Author(s)
  Hiroyuki Tamura, Shinko Nanbu, Hiroki Nakamura and Toshimasa Ishida
- Organizer
  Pacifichem 2005
- Place of Presentation
  Hawaii, USA
- Year and Date
  2005-12-20
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2005
- Author(s)
  南部伸孝, 石田俊正, 中村宏樹
- Organizer
  分子構造総合討論会2005
- Place of Presentation
  東京
- Year and Date
  2005-09-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 帯状ボリジアセチレン単一層(atomic sash)の相転移-幾何・電子構造の変化-2005
- Author(s)
  栖原正典、遠藤理、尾崎弘行、石田俊正、片桐秀樹、江川徹、河東田道夫
- Organizer
  分子構造総合討論会2005
- Place of Presentation
  東京
- Year and Date
  2005-09-27
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion2005
- Author(s)
  Hiroyuki, Tamura, Shinko, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
- Organizer
  Pacifichem 2005
- Place of Presentation
  Hawaii
- Year and Date
  2005-12-20
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation scheme without using ab initio derivatives: IMLS/Shepard scheme2005
- Author(s)
  Toshimasa Ishida
- Organizer
  The 9th East Asian Workshop on Chemical Reactions
- Place of Presentation
  韓国大田(Daejeon)
- Year and Date
  2005-03-27
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2005
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  21st Symposium on Chemical Kinetics and Dynamics Suita
- Place of Presentation
  Osaka
- Year and Date
  2005-06-01
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2005
- Author(s)
  Shinkoh, NANBU, Toshimasa, ISHIDA, Hiroki, NAKAMURA
- Organizer
  Pacifichem 2005
- Place of Presentation
  Hawaii
- Year and Date
  2005-12-21
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサジエンの光異性化の反応動力学2005
- Author(s)
  田村宏之、南部伸孝、中村宏樹、石田俊正
- Organizer
  第9回理論化学討論会
- Place of Presentation
  京都
- Year and Date
  2005-05-17
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular Design employing non-adiabatic phenomena2005
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  General Meeting of Molecular Structure 2005 2D14
- Place of Presentation
  Tokyo
- Year and Date
  2005-09-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 局所内挿法による複数ポテンシャルと多原子系のポテンシャル2005
- Author(s)
  石田俊正、南部伸孝、George C. Schatz
- Organizer
  第9回理論化学討論会
- Place of Presentation
  京都
- Year and Date
  2005-05-17
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation scheme without using ab initio derivatives : IMLS/Shepard scheme2005
- Author(s)
  Toshimasa, Ishida
- Organizer
  The 9th East Asian Workshop on Chemical Reactions Dejiong
- Place of Presentation
  Invited
- Year and Date
  2005-03-27
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A local interpolation scheme without using ab initio derivatives: IMLS/Shepard scheme2005
- Author(s)
  Toshimasa Ishida
- Organizer
  Czech-Japan symposium
- Place of Presentation
  Prague, Czech Republic
- Year and Date
  2005-09-14
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2005
- Author(s)
  Shinkoh NANBU, Toshimasa ISHIDA, and Hiroki NAKAMURA
- Organizer
  Pacifichem 2005
- Place of Presentation
  Hawaii, USA
- Year and Date
  2005-12-21
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Phase transition of zonal poly diacetylene monolayer, atomic sash-Change of geometry and electronic structure2005
- Author(s)
  Masanori, Suhara, Osamu, Endo, Hiroyuki, Ozaki, Toshimasa, Ishida, Hideki, Katagiri, Toru, Egawa, Michio, Katoda
- Organizer
  General Meeting of Molecular Structure 2005 1P177
- Place of Presentation
  Tokyo
- Year and Date
  2005-09-27
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサジエンの光異性化反応の理論的研究2005
- Author(s)
  田村宏之、南部伸孝、中村宏樹、石田俊正
- Organizer
  第21回化学反応討論会
- Place of Presentation
  吹田
- Year and Date
  2005-06-01
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Wave packet dynamics study on photoisomerization of cyclohexadiene2005
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  General Meeting of Molecular Structure 2005 3A09
- Place of Presentation
  Tokyo
- Year and Date
  2005-09-29
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 理論円二色性スペクトルによる光学活性分子の絶対配置決定2005
- Author(s)
  田中康隆、石田俊正
- Organizer
  モレキュラーキラリティー2005
- Place of Presentation
  千里
- Year and Date
  2005-06-07
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサジエンの光異性化の波束動力学による研究2005
- Author(s)
  田村宏之, 南部伸孝, 石田俊正, 中村宏樹
- Organizer
  分子構造総合討論会2005
- Place of Presentation
  東京
- Year and Date
  2005-09-29
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Multi-potential energy surfaces and polyatomics potential energy surfaces in terms of local interpolation2005
- Author(s)
  Toshimasa, Ishida, Shinkoh, Nanbu, George, C., Schatz
- Organizer
  The 9th Theoretical Chemistry Symposium
- Place of Presentation
  Kyoto
- Year and Date
  2005-05-17
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シアン化金AuCNのマイクロ波分光2005
- Author(s)
  湖東文・岡林利明・o岡林恵美・石田俊正・谷本光敏
- Organizer
  第五回分子分光研究会
- Place of Presentation
  東京
- Year and Date
  2005-05-15
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical Study on photoisomerization of cyclohexadiene2005
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
- Organizer
  21st Symposium on Chemical Kinetics and Dynamics Suita
- Place of Presentation
  Osaka
- Year and Date
  2005-06-01
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサジエン/ヘキサトリエンの光異性化に関する理論的研究2005
- Author(s)
  田村宏之, 南部伸孝, 石田俊正, 中村宏樹
- Organizer
  第3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
- Year and Date
  2005-11-30
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Determination of absolute conformation of photoactive molecules by theoretical circular dichromism2005
- Author(s)
  Yasutaka, Tanaka, Toshimasa, Ishida
- Organizer
  Molecular Chirality 2005, June 7 Senri
- Place of Presentation
  Osaka
- Year and Date
  2005-06-07
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular reaction dynamics of photoisomerization of cyclohexadiene2005
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
- Organizer
  The 9th Theoretical Chemistry Symposium
- Place of Presentation
  Kyoto
- Year and Date
  2005-05-17
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] ハロゲン化ニッケルNiXの電子状態に関する理論的研究2004
- Author(s)
  山崎恵美・石田俊正・岡林利明・谷本光敏
- Organizer
  分子構造総合討論会2004(2P074)
- Place of Presentation
  広島
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 局所内挿法による多原子系の反応ポテンシャル面2004
- Author(s)
  石田俊正, George C. Schatz
- Organizer
  分子構造総合討論会2004(2P093)
- Place of Presentation
  広島
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Reaction potential energy surfaces of polyatomic system in terms of local interpolation2004
- Author(s)
  Toshimasa, Ishida, George, C., Schatz
- Organizer
  General Meeting of Molecular Structure 2004(2P093)
- Place of Presentation
  Hiroshimasa
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Molecular design employing non-adiabatic phenomena2004
- Author(s)
  Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
- Organizer
  General Meeting of Molecular Structure 2004(1C07)
- Place of Presentation
  Hiroshimasa
- Year and Date
  2004-09-27
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] シクロヘキサジエンの光開環反応の反応動力学2004
- Author(s)
  田村宏之、南部伸孝、中村宏樹、石田俊正
- Organizer
  分子構造総合討論会2004(4P101)
- Place of Presentation
  広島
- Year and Date
  2004-09-30
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] IR Absorption Spectra and Molecular Vibration Analysis of Electrochromic WO_3 Films2004
- Author(s)
  M., Mizutani, K., Kimura, T., Ishida, K., Urabe, M., Kitao
- Organizer
  12th International Congress on Solid Films and Surfaces
- Place of Presentation
  Hamamatsu Japan
- Year and Date
  2004-06-25
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Application of a local interpolation scheme to a tetraatomic system-An approach using no ab initio derivatives-2004
- Author(s)
  Toshimasa Ishida and George C. Schatz
- Organizer
  1st Asian Pacific Conference on Theoretical and Computational Chemistry(P19)
- Place of Presentation
  岡崎
- Year and Date
  2004-05-12
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] 非断熱現象を利用した分子設計2004
- Author(s)
  南部伸孝, 石田俊正, 中村宏樹
- Organizer
  分子構造総合討論会2004(1C07)
- Place of Presentation
  広島
- Year and Date
  2004-09-27
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical exploration of formation reaction of molecular hydrogens mediated by a naphthalene cation2004
- Author(s)
  Mutsumi, Hirama, Jun-ichi, Aihara, Toshimasa, Ishida
- Organizer
  General Meeting of Molecular Structure 2004 (2P092)
- Place of Presentation
  Hiroshimasa
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Application of a local interpolation scheme to a tetraatomic system-An approach using no ab initio derivatives-2004
- Author(s)
  Toshimasa, Ishida, George, C., Schatz
- Organizer
  1st Asian Pacific Conference on Theoretical and Computational Chemistry (PI 9)
- Place of Presentation
  Okazaki
- Year and Date
  2004-05-12
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] IR Absorption Spectra and Molecular Vibration Analysis of Electrochromic WO_3 Films2004
- Author(s)
  M. Mizutani, K. Kimura, T. Ishida, K. Urabeand M. Kitao
- Organizer
  12th International Congress on Solid Films and Surfaces
- Place of Presentation
  浜松
- Year and Date
  2004-06-25
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Reaction dynamics of photo-induced ring-opening reaction of cyclehexadiene2004
- Author(s)
  Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
- Organizer
  General Meeting of Molecular Structure 2004 (4P101)
- Place of Presentation
  Hiroshimasa
- Year and Date
  2004-09-30
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] Theoretical study on electronic structures of Nickel halide NiX2004
- Author(s)
  Emi, Yamazaki, Toshimasa, Ishida, Toshiaki, Okabayashi, Mitsutoshi, Tanimoto
- Organizer
  General Meeting of Molecular Structure 2004 (2P074)
- Place of Presentation
  Hiroshimasa
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16550025
[Presentation] ナフタレン陽イオンを介する水素分子生成反応の理論的探索2004
- Author(s)
  平間睦、相原惇一、石田俊正
- Organizer
  分子構造総合討論会2004(2P092)
- Place of Presentation
  広島
- Year and Date
  2004-09-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16550025

1. NANBU Shinkoh (00249955)

# of Collaborated Projects: 5 results

# of Collaborated Products: 171 results
2. NAKAMURA Hiroki (10010935)

# of Collaborated Projects: 2 results

# of Collaborated Products: 34 results
3. KATAGIRI Hideki (60344206)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
4. TOKUE Ikuo (90101063)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. CHENG Wilfred C. (90467457)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. ARYASETIAWAN Ferdi (90356387)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. SUZUKI Toshinori (10192618)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
8. GENNADY Mil'nikov (00370130)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. SCHATZ George C.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. MIL'NIKOV Gennady V.

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
11. 中園学

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 青野重利

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

ISHIDA Toshimasa 石田 俊正

石田 俊正 イシダ トシマサ

Research Projects

Research Products

Co-Researchers

生体分子の構造と光応答の相関に対する非断熱遷移動力学法によるアプローチPrincipal Investigator

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Non-adiabatic reaction dynamics simulation of biomolecules responding to photonsPrincipal Investigator

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Emergence and Control of Molecular Functions using Nonadiabatic Phenomena

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Development of generation of large-male potential energy surfaces num local interpolation and molecular mechanicsPrincipal Investigator

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Studies of Non-adiabatic Chemical Dynamics based on the Zhu-Nakamura Theory

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New methods for electronic excited states of solids using localized basis

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ab initio法と融合したポテンシャル面自動生成に関する研究Principal Investigator

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Development and applications of an interpolation scheme of potential energy surfaces which can be combined with latest ab initio methodologiesPrincipal Investigator

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超励起状態からの自動イオン化の理論的研究Principal Investigator

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超励起状態の関与する化学反応の理論的研究Principal Investigator

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高励起・連続状態の関与する反応に関する理論的研究Principal Investigator

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高励起・連続状態の関与する反応に関する量子化学的ならびに動力学的研究Principal Investigator

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高励起・連続状態の関与する反応に関する量子化学的ならびに動力学的研究Principal Investigator

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[Journal Article] A model theoretical study on ligand exchange reactions of CooA2014

ISHIDA Toshimasa 石田俊正

石田俊正イシダトシマサ