Matsubara Toshiaki 松原世明

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MATSUBARA Toshiaki 松原世明

松原世明マツバラトシアキ

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Researcher Number	60239069
Other IDs
Affiliation (Current)	2025: 神奈川大学, 理学部, 教授
Affiliation (based on the past Project Information) *help	2017 – 2022: 神奈川大学, 理学部, 教授 2011: 神奈川大学, 理学部, 教授 2010: 広島大学, 理学部, 教授 2007 – 2009: 広島大学, 大学院・理学研究科, 特任准教授 2006: 広島大学, 大学院理学研究科, 特任助教授 2000 – 2001: 財団法人基礎化学研究所, 研究員 2000 – 2001: 財団法人基礎化学研究所, 研究員
Review Section/Research Field	Principal Investigator Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry / Science and Engineering Except Principal Investigator Science and Engineering
Keywords	Principal Investigator 分子動力学計算 / 分子動力学法 / 量子力学計算 / 動的因子 / 化学反応 / 分子軌道法 / 光励起反応 / 反応経路選択 / 光誘起反応 / 光反応経路 … More / 分子動力学シミュレーション / 反応制御 / 円錐交差 / 経路選択 / 光異性化反応 / 溶媒効果 / SN2反応 / 量子力学的手法 / 化学反応速度論 / 量子化学計算 / 化学反応理論 / 環境の効果 / 熱運動 / 酵素 / 交互共重合反応 / ONIOM法 / 立体効果 / 電子的効果 / 遷移金属錯体 / 触媒反応 / スタノール合成反応 / 不斉反応 / 金属クラスター / 表面 / パラジウム / 脱離過程 / 吸着構造 / 一酸化窒素 / 一酸化炭素 / 窒素 / パラジウム表面 … More Except Principal Investigator 水クラスター / 生体高分子 / モンテカルロ法 / 分子動力学法 / 分子軌道法 / 溶媒効果 / ONIOM / MM / QM / シミュレーション / MC / MD / ab initio MO Less

Analysis of dynamic factors controlling photochemical reaction pathways using a combination of quantum mechanical and molecular dynamics methodsPrincipal Investigator
- Principal Investigator
  
  Matsubara Toshiaki
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Kanagawa University
Analysis of the dynamic factors promoting the chemical reaction by combining the quantum mechanical and the molecular dynamics methodsPrincipal Investigator
- Principal Investigator
  
  Matsubara Toshiaki
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kanagawa University
Development of the chemical reaction theory and its application to the enzymaticreaction by the ONIOM molecular dynamics methodPrincipal Investigator
- Principal Investigator
  
  MATSUBARA Toshiaki
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kanagawa University
  Hiroshima University
QM/MM-MC and QM/MM-MD simulations for reactions in solution
- Principal Investigator
  
  AIDA Misako
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
金属表面反応を制御する動的因子に関する理論的研究Principal Investigator
- Principal Investigator
  
  松原世明
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Institute Fundamental Chemistry
ONIOM法による反応制御に重要な役割を果たす有機金属錯体に関する理論的研究Principal Investigator
- Principal Investigator
  
  松原世明
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Institute Fundamental Chemistry

All 2023 2022 2021 2020 2019 2018 2017 2012 2011 2010 2009 2008 2007 2006

All Journal Article Presentation Book

[Book] ONIOM and ONIOM-Molecular Dynamics Methods: Principles and Applications2010
- Author(s)
  T. Matsubara
- Publisher
  Nova Science Publishers(印刷中)
- Data Source
  KAKENHI-PROJECT-18066012
[Book] Handbook of Computational Chemistry Research (Chapter 2; ONIOM and ONIOM-Molecular Dynamics Methods : Principles and Applications)2010
- Author(s)
  Toshiaki Matsubara
- Publisher
  Nova Science Publishers(印刷中)
- Data Source
  KAKENHI-PROJECT-18066012
[Book] Handbook of Computational Chemistry Research2009
- Author(s)
  T.Matsubara
- Publisher
  Nova Science Publishers
- Data Source
  KAKENHI-PROJECT-21550017
[Book] ONIOM and ONIOM-Molecular Dynamics Methods2009
- Author(s)
  T. Matsubara、Handbook of Computational Chemistry Research、Charles T. Collett and Christopher D. Robson
- Data Source
  KAKENHI-PROJECT-21550017
[Journal Article] Dynamic effects of the bridged structure on the quantum yield of the cis → trans photoisomerization of azobenzene2022
- Author(s)
 Matsubara Toshiaki
- Journal Title
 
 Physical Chemistry Chemical Physics
 
 Volume: 24 Issue: 28 Pages: 17303-17313
- DOI
 10.1039/d2cp02418g
- Peer Reviewed
- Data Source
 KAKENHI-PROJECT-20K05423
[Journal Article] Density Functional Study of σ Bond Cleavage in P-P Multiple Bond of Phosphinophosphinidene2021
- Author(s)
  Toshiaki Matsubara and Keisuke Shirasaka
- Journal Title
  
  Journal of Computer Chemistry, Japan -International Edition
  
  Volume: 7
- NAID
  130008051008
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05423
[Journal Article] Dynamic Effects on the Product Distribution of the Photoreaction of s-cis-1,3-Butadiene: A Nonadiabatic Molecular Dynamics Study2021
- Author(s)
  Toshiaki Matsubara
- Journal Title
  
  Bull. Chem. Soc. Jpn.
  
  Volume: 94 Issue: 6 Pages: 1720-1727
- DOI
  10.1246/bcsj.20210069
- NAID
  130008066548
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05423
[Journal Article] Density Functional Study of σ Bond Cleavage in P–P Multiple Bond of Phosphinophosphinidene2021
- Author(s)
  Toshiaki Matsubara and Keisuke Shirasaka
- Journal Title
  
  Journal of Computer Chemistry, Japan -International Edition
  
  Volume: 7 Issue: 0 Pages: n/a
- DOI
  10.2477/jccjie.2020-0003
- NAID
  130008051008
- ISSN
  2189-048X
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05423
[Journal Article] QM- and ONIOM-Molecular Dynamics Studies of the SN2 Reaction. How Does the Rare Event Take Place?2020
- Author(s)
 T. Matsubara
- Journal Title
 
 Journal of Computer Chemistry, Japan -International Edition
 
 Volume: 6 Issue: 0 Pages: n/a
- DOI
 10.2477/jccjie.2019-0006
- NAID
 130007822331
- ISSN
 2189-048X
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-17K05766
[Journal Article] Highly active, homogeneous catalysis by polyoxometalate-assisted N-heterocyclic carbene gold(I) complexes for hydration of diphenylacetylene2019
- Author(s)
  Kenji Nomiya, Yuichi Murara, Yuta Iwasaki, Hidekazu Arai, Takuya Yoshida, Noriko Chikaraishi Kasuga, Toshiaki Matsubara
- Journal Title
  
  Molecular Catalysis
  
  Volume: 469 Pages: 144-154
- DOI
  10.1016/j.mcat.2019.02.014
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05766
[Journal Article] Molecular Dynamics Study of the SN2 Reaction. How Does the Rare Event Take Place?2019
- Author(s)
 松原世明
- Journal Title
 
 J. Comput. Chem. Jpn.
 
 Volume: 18 Issue: 3 Pages: 145-146
- DOI
 10.2477/jccj.2019-0011
- NAID
 130007744483
- ISSN
 1347-1767, 1347-3824
- Language
 Japanese
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-17K05766
[Journal Article] B≡B Triple Bond of Newly Synthesized Diboryne Can Take a Different Mechanism for the σ Bond Activation of Polar and Nonpolar Molecules. A Quantum Mechanical Study2018
- Author(s)
  T. Matsubara, R. Yamasaki, T. Hori, M. Morikubo
- Journal Title
  
  Bull. Chem. Soc. Jpn.
  
  Volume: 91 Issue: 12 Pages: 1683-1690
- DOI
  10.1246/bcsj.20180190
- NAID
  130007531089
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05766
[Journal Article] Polyoxometalate-Assisted, One-Pot Synthesis of A Pentakis{(triphenylphosphane)gold}ammonium(2+) Cation Containing Regular Trigonal Bipyramidal Geometries of Five Bonds to Nitrogen2018
- Author(s)
  1) Kenji Nomiya, Kohei Endo, Yuichi Murata, Shinya Sato, Sho Shimazaki, Shogo Horie, Eri Nagashima, Yuta Yasuda, Takuya Yoshida, Satoshi, Matsunaga, and Toshiaki Matsubara
- Journal Title
  
  Inorg. Chem.
  
  Volume: 57 Issue: 3 Pages: 1504-1516
- DOI
  10.1021/acs.inorgchem.7b02795
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05766
[Journal Article] Theoretical Study of the Heterolytic σ Bond Cleavage on the Ge=O Bond of Germanone. An Insight into the Driving Force from both Electronic and Dynamical Aspects.2017
- Author(s)
  Toshiaki Matsubara and Tomoyoshi Ito
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 121 Issue: 8 Pages: 1768-1778
- DOI
  10.1021/acs.jpca.6b12478
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K05766
[Journal Article] Dynamical Behavior of the H2 Molecule of the PtH(H2)[P(t-Bu)3]2+ Complex. A Theory of Chemical Reactivity2009
- Author(s)
  Toshiaki Matsubara
- Journal Title
  
  The Journal of Physical Chemistry A 113
  
  Pages: 3227-3236
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Dynamical Behavior of the H_2 Molecule of the PtH(H_2) [P(t-Bu)_3]_2+Complex. A Theory of Chemical Reactivity2009
- Author(s)
  T. Matsubara
- Journal Title
  
  J. Phys. Chem.
  
  Volume: 113巻 Pages: 3227-3236
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550017
[Journal Article] ONIOM Study on the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics2009
- Author(s)
  Y. Sakae, T. Matsubara, M. Aida, H. Kondo, K. Masaki, and H. Iefuji
- Journal Title
  
  Bull. Chem. Soc. Jpn
  
  Volume: 82巻 Pages: 338-346
- NAID
  10025116578
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550017
[Journal Article] Dynamical Behavior of the H_2 Molecule of the PtH(H_2)[P(t-Bu)_3]_2+ Complex. A Theory of Chemical Reactivity2009
- Author(s)
  T.Matsubara
- Journal Title
  
  J.Phys.Chem.A 113
  
  Pages: 3227-3236
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550017
[Journal Article] ONIOM Study on the Mechanism of the Enzymatic Hydrolysis of Biodegradable Plastics2009
- Author(s)
  Y. Sakae, T. Matsubara, M. Aida, H. Kondo, K. Masaki, H. Iefuji
- Journal Title
  
  Bull. Chem. Soc. Jpn 82
  
  Pages: 338-346
- NAID
  10025116578
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Dynamical Behavior of the H2 Molecule of the PtH(H2)[P(t-Bu)3]2+ Complex. A Theory of Chemical Reactivity2009
- Author(s)
  T. Matsubara
- Journal Title
  
  J. Phys. Chem. A 113
  
  Pages: 3227-3236
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase2008
- Author(s)
  Toshiaki Matsubara, Michel Dupuis, and Misako Aida
- Journal Title
  
  Journal of Computational Chemistry 29
  
  Pages: 458-465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] A Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptor β2008
- Author(s)
  Toshiaki Matsubara
- Journal Title
  
  Bulletin of the Chemical Society of Japan 81
  
  Pages: 1258-1266
- NAID
  10024330884
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] A Theoretical Insight into the Interaction of Fatty Acids Involved in Royal Jelly with the Human Estrogen Receptorβ2008
- Author(s)
  T. Matsubara, H. Sugimoto, M. Aida
- Journal Title
  
  Bull. Chem. Soc. Jpn 81
  
  Pages: 1258-1266
- NAID
  10024330884
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase2008
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  J. Comput. Chem 29
  
  Pages: 458-465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] An Insight into the Environmental Effects of the Pocket of the Active Site of the Enzyme. Ab initio ONIOM-Molecular Dynamics (MD) Study on Cytosine Deaminase2008
- Author(s)
  Toshiaki Matsubara
- Journal Title
  
  Journal of the Computational Chemistry 29
  
  Pages: 458-465
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase2007
- Author(s)
  Toshiaki Matsubara, Michel Dupuis and Misako Aida
- Journal Title
  
  Journal of Physical Chemistry B 111
  
  Pages: 9965-9974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] The ONIOM molecular dynamics method for biochemical applications: cytidine deaminase2007
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  Chem. Phys. Lett 437
  
  Pages: 138-142
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Ab initio ONIOM-Molecular dynamics (MD) study on the deamination reaction by cytidine deaminase2007
- Author(s)
  T. Matsubara, M. Dupuis, M. Aida
- Journal Title
  
  J. Phys. Chem. B 111
  
  Pages: 9965-9974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] Ab initio ONIOM-Molecular dynamics(MD)Study on the deamination reactionby cytidine deaminase2007
- Author(s)
  Toshiaki. Matsubara
- Journal Title
  
  Journal of Physical ChemistryB 111
  
  Pages: 9965-9974
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] The ONIOM molecular dynamics method for biochemical applications : cytidine deaminase2006
- Author(s)
  T.Matsubara
- Journal Title
  
  Chemical Physics Letter 437・1-3
  
  Pages: 138-142
- Data Source
  KAKENHI-PROJECT-18066012
[Journal Article] A Quantum Chemical Study of the Catalysis for Cytidine Deaminase : Contribution of the Extra Water Molecule2006
- Author(s)
  T.Matsubara
- Journal Title
  
  Journal of Chemical Information and Modeling 46・3
  
  Pages: 1276-1285
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Dynamic Effects on the Photoinduced and Ionization-Induced Reactions2023
- Author(s)
  Toshiaki Matsubara
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05423
[Presentation] An Insight into the Photoinduced Chemical Reactions from a Dynamical Point of View2022
- Author(s)
  Toshiaki Matsubara
- Organizer
  12th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2020)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05423
[Presentation] An Insight into the Photoinduced Chemical Reactions from a Dynamical Point of View2022
- Author(s)
  Toshiaki Matsubara
- Organizer
  12th Triennial Congress of the World Association of Theoretical and Computational Chemists
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05423
[Presentation] 分子動力学法によるSN2反応の理論研究ー化学反応はいかにして起こるかー2019
- Author(s)
  松原世明
- Organizer
  日本コンピュータ化学会2019春季年会
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] Insight into the Chemical Reactions from the Molecular Dynamics Simulation. How Does the Rare Event Take Place?2019
- Author(s)
  Toshiaki Matsubara
- Organizer
  International Symposium 50 years of Quantum Chemistry in Strasbourg
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] Insight into the Chemical Reactions from the Molecular Dynamics Simulation2019
- Author(s)
  Toshiaki Matsubara
- Organizer
  Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] SN2反応の分子動力学的考察ー化学反応はいかにして起こるかー2019
- Author(s)
  松原世明
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] 新規に合成されたジボリンのB≡B三重結合の反応性とその反応機構の予測2018
- Author(s)
  山崎龍河、堀智紀、森久保真菜、松原世明
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] An Insight into the Mechanism of the Electron-Transfer Induced Repair of the (6-4) T-T Photoproduct of DNA by the Photolyase. A Computational Study2017
- Author(s)
  Toshiaki Matsubara
- Organizer
  Drug Discovery & Therapy World Congress 2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] Theoretical Study of the Chemical Reactions by the Combination of Quantum Mechanical and Molecular Dynamics Methods2017
- Author(s)
  Toshiaki Matsubara
- Organizer
  4th International Conference on Physical and Theoretical Chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] An Insight into the Driving Force of the Chemical Reactions by the Combination of the Quantum Mechanical and Molecular Dynamics Methods2017
- Author(s)
  Toshiaki Matsubara
- Organizer
  BIT’s 1st Annual Conference of Quantum World - 2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] An Insight into the Driving Force of the σ Bond Cleavage on the Ge=O Bond of Germanone by the Combination of the Quantum Mechanical and Molecular Dynamics Methods2017
- Author(s)
  Toshiaki Matsubara
- Organizer
  3rd Intl Symp. on New and Advanced Materials and Technologies for Energy, Environment and Sustainable Development
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K05766
[Presentation] 化学反応の量子化学計算.有機金属錯体から生体高分子まで2012
- Author(s)
  松原世明
- Organizer
  22回神奈川大学平塚シンポジウムー計算化学最前線
- Place of Presentation
  平塚
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] Si原子上での求核置換反応に関する理論研究2011
- Author(s)
  渡邉慶市、佐野晃平、松原世明
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法によるローヤルゼリーの薬理作用に関する理論研究2011
- Author(s)
  竹充、松原世明
- Organizer
  日本化学会第91春季年会
- Place of Presentation
  横浜
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法によるウィルキンソン錯体触媒のオレフィン水素化反応における配位子の置換基効果に関する理論研究2011
- Author(s)
  松原世明
- Organizer
  日本化学会第91春季年会
- Place of Presentation
  横浜
- Year and Date
  2011-03-27
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法によるウィルキンソン錯体触媒のオレフィン水素化反応における配位子の置換基効果に関する理論研究、2011
- Author(s)
  松原世明、高橋亮平
- Organizer
  日本化学会第91春季年会
- Place of Presentation
  横浜
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法によるウィルキンソン錯体のオレフィン水素化反応機構の再検討2011
- Author(s)
  杉山香織、高橋亮平、松原世明
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM and ONIOM-molecular dynamics methods : principles and applications2010
- Author(s)
  T. Matsubara、
- Organizer
  The 6th Kanagawa University. National Taiwan University Symposium
- Place of Presentation
  National Taiwan University、Taiwan
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] Application of the ONIOM-molecular dynamics method to the chemical reactions. A new theory of chemical reactivity2009
- Author(s)
  T. Matsubara
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity、Celebrating Prof. Morokuma's 75th Birthday
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Application of the ONIOM-molecular dynamics method to the chemical reactions. A new theory of chemical reactivity2009
- Author(s)
  Toshiaki Matsubara
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-07-20
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] Development of a chemical reactivity theory of large-scale molecular system2009
- Author(s)
  T. Matsubara
- Organizer
  Development of a chemical reactivity theory of large-scale molecular system
- Place of Presentation
  Port Dickson、Malaysia
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] Application of the ONIOM-molecular dynamics method to the chemical reactions. A new theory of chemical reactivity2009
- Author(s)
  松原世明
- Organizer
  International Symposium on Theory of MolecularStructure, Function and Reactivity
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] Development of a chemical reactivity theory of large-scale molecular system2009
- Author(s)
  松原世明
- Organizer
  The Fourth Asian Pacific Conference of Theoretical and Computational Chemistry
- Place of Presentation
  Port Dickson, Malaysia
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法の概念と応用.有機金属錯体から生体高分子まで2009
- Author(s)
  松原世明
- Organizer
  コンフレックス株式会社主催「Gaussian09セミナー」
- Place of Presentation
  大阪
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM法の概念と応用-有機金属錯体から生体高分子まで-2009
- Author(s)
  松原世明
- Organizer
  コンフレックス株式会社主催「Gaussian09セミナー」
- Place of Presentation
  大阪
- Year and Date
  2009-10-21
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] Application of the ONIOM-molecular dynamics method to the chemical reactions. A new theory of chemical reactivity2009
- Author(s)
  松原世明
- Organizer
  International Symposium on Theory of Molecular Structure, Function and Reactivity
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] 大規模分子の反応性の理論的予測法の開発2009
- Author(s)
  松原世明
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] 酵素の高反応活性の起源に関する理論的考察2009
- Author(s)
  松原世明
- Organizer
  第12回理論化学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-21550017
[Presentation] ONIOM分子動力学法による有機金属錯体反応における環境の動的効果に関する研究2008
- Author(s)
  松原世明
- Organizer
  第11回理論化学討論会
- Place of Presentation
  慶應義塾大学理工学部(矢上キャンパス)
- Year and Date
  2008-05-23
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] ONIOM分子動力学法によるPtH(H2)[P(t-Bu)3]2]+錯体の水素分子の動的挙動に関する理論的研究2008
- Author(s)
  松原世明
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場
- Year and Date
  2008-09-26
- Data Source
  KAKENHI-PROJECT-18066012
[Presentation] ONIOM-Molecular Dynamics (MD) Study on the Enzymatic Formation of Anticancer Compounds2007
- Author(s)
  Toshiaki MATSUBARA
- Organizer
  1st International Symposium on "Molecular Theory for Real Systems"
- Place of Presentation
  京都大学(桂キャンパス)
- Year and Date
  2007-07-27
- Data Source
  KAKENHI-PROJECT-18066012

1. AIDA Misako (90175159)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results

Matsubara Toshiaki 松原 世明

MATSUBARA Toshiaki 松原 世明

松原 世明 マツバラ トシアキ

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Analysis of dynamic factors controlling photochemical reaction pathways using a combination of quantum mechanical and molecular dynamics methodsPrincipal Investigator

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Analysis of the dynamic factors promoting the chemical reaction by combining the quantum mechanical and the molecular dynamics methodsPrincipal Investigator

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Development of the chemical reaction theory and its application to the enzymaticreaction by the ONIOM molecular dynamics methodPrincipal Investigator

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QM/MM-MC and QM/MM-MD simulations for reactions in solution

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金属表面反応を制御する動的因子に関する理論的研究Principal Investigator

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ONIOM法による反応制御に重要な役割を果たす有機金属錯体に関する理論的研究Principal Investigator

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[Book] ONIOM and ONIOM-Molecular Dynamics Methods: Principles and Applications2010

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[Book] Handbook of Computational Chemistry Research (Chapter 2; ONIOM and ONIOM-Molecular Dynamics Methods : Principles and Applications)2010

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[Book] Handbook of Computational Chemistry Research2009

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[Book] ONIOM and ONIOM-Molecular Dynamics Methods2009

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[Journal Article] Dynamic effects of the bridged structure on the quantum yield of the <i>cis</i> → <i>trans</i> photoisomerization of azobenzene2022

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[Journal Article] Density Functional Study of σ Bond Cleavage in P-P Multiple Bond of Phosphinophosphinidene2021

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[Journal Article] Dynamic Effects on the Product Distribution of the Photoreaction of s-cis-1,3-Butadiene: A Nonadiabatic Molecular Dynamics Study2021

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[Journal Article] Density Functional Study of σ Bond Cleavage in P–P Multiple Bond of Phosphinophosphinidene2021

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Matsubara Toshiaki 松原世明

MATSUBARA Toshiaki 松原世明

松原世明マツバラトシアキ