USHIYAMA Hiroshi 牛山浩

Researcher Number	40302814
Other IDs
Affiliation (based on the past Project Information) *help	2020: 東京大学, 大学院工学系研究科(工学部), 准教授 2016 – 2017: 東京大学, 大学院工学系研究科(工学部), 准教授 2012 – 2015: 東京大学, 工学(系)研究科(研究院), 准教授 2007 – 2011: The University of Tokyo, 大学院・工学系研究科, 准教授 2010: 東京大学, 大学院・総合文化研究科, 助教 … More 2009: 東京大学, 大学院・総合文化研究科, 助手 2007: 東京大学, 大学院・工学系・研究科, 准教授 2006: 東京大学, 大学院工学系研究科, 助教授 2005 – 2006: The University of Tokyo, Graduate School of Arts and Sciences, Assistant Professor, 大学院総合文化研究科, 助手 1999 – 2005: 東京大学, 大学院・総合文化研究科, 助手 1999: 東京大学, 大学院・総合文化研究所, 助手 Less
Review Section/Research Field	Principal Investigator Physical chemistry / Physical chemistry / Science and Engineering Except Principal Investigator Science and Engineering / Physical chemistry / Science and Engineering
Keywords	Principal Investigator 化学反応動力学 / プロトン移動 / 理論化学 / 不均一触媒 / プロトン移動反応 / 半古典理論 / 電子ダイナミクス / 燃料電池 / 計算化学 / 欠陥 … More / 表面反応 / 触媒 / 電極反応 / 表面化学 / 触媒化学 / 化学反応 / 光触媒 / プロトン透過膜 / 酸化反応 / 化学反応論 / 量子化学 / 固体酸触媒 / 量子効果 / 反応動力学 / 水素結合 / 不均-触媒 / 多次元量子効果 / トンネル効果 / 量子動力学 / 電子移動 / 多次元トンネル理論 / 水素移動反応 / 協同現象 / 多次元トンネル … More Except Principal Investigator 分子動力学 / cluster / Quantum chaos / クラスター / 量子カオス / 化学反応 / 誘電体 / 超伝導体 / 二次電池活物質 / 光電極 / 電池活物質 / 熱電材料 / 磁性体 / 蛍光体 / 二次電池 / 光触媒 / electron dynamics / proton transfer / wavepacket dynamics / 内部空間 / 量子動力学 / 電子動力学 / トンネル現象 / 波束動力 / molecular vibration / mesoscopic science / semclassical / 非線形力学 / 複雑性動力学 / カオス / パターン形成 / セルオートマトン / 表面化学反応 / プロトン移動 / 分子振動 / メゾスコピック系 / 半古典理論 / 表面電荷密度波 / Kohn異常 / 電子格子相互作用 / 非平衡グリーン関数法 / 単一分子電気伝導 / 密度汎関数法 / 表面吸着分子 / 溶媒効果 / アンカー効果 / DFT計算 / アナターゼ型酸化チタン表面 / 第一原理計算 / 分子論的描像 / 電子移動機構 / 色素増感型太陽電池 / 量子ダイナミクス / 電子輸送 / 固体界面 / PbTe量子ドット / 二励起子状態 / 励起子生成 / デコヒーレンス時間 / 第一原理分子動力学計算 / オージュエ冷却 / 半導体太陽電池 / PbSe量子ドット / 不均一触媒 / マルチスケールシミュレーション / 計算化学 / 理論化学 / 励起分子素課程 / 励起分子素過程 / 電子エネルギー移動 / 原子核同時動力学 / レーザー化学 / 超高速動力学 / 化学反応論 Less

Development of mixed anion compounds that exhibit new properties and functions
- Principal Investigator
  
  Maeda Kazuhiko
- Project Period (FY)
  2016 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Tokyo Institute of Technology
Electron Dynamics Studies on the Mechanism of Catalytic ReactionsPrincipal Investigator
- Principal Investigator
  
  Ushiyama Hiroshi
- Project Period (FY)
  2012 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
Development of Protonics: applications to proton penetrate membrane and photo catalystsPrincipal Investigator
- Principal Investigator
  
  USHIYAMA Hiroshi
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
不均一触媒反応の理解を目指した理論・計算化学手法の開発Principal Investigator
- Principal Investigator
  
  牛山浩
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
表面触媒反応における非断熱過程の第一原理計算
- Principal Investigator
  
  YAMASHITA Koichi
- Project Period (FY)
  2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
色素増感太陽電池における電子移動機構の分子理論
- Principal Investigator
  
  山下晃一
- Project Period (FY)
  2007
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Quantum Chemical Dynamics and Electron Transport at Interfaces
- Principal Investigator
  
  YAMASHITA Koichi
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
Theoretical studies on quantum effects for multidimensional protontransfer reactionsPrincipal Investigator
- Principal Investigator
  
  USHIYAMA Hiroshi
- Project Period (FY)
  2007 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
Theory of ultrafast process in chemical dynamics
- Principal Investigator
  
  TAKATSUKA Kazuo
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Theory of Chemistry beyond the Born-Oppenheimer Concept
- Principal Investigator
  
  TAKATSUKA Kazuo
- Project Period (FY)
  2006 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
比較的大きな系におけるプロトン移動反応の量子・半古典ダイナミクスPrincipal Investigator
- Principal Investigator
  
  牛山浩
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
Basic theories for molecular quantum dynamics
- Principal Investigator
  
  TAKATSUKA Kazuo
- Project Period (FY)
  2003 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
生体内プロトン移動反応における集団的量子トンネル運動Principal Investigator
- Principal Investigator
  
  牛山浩
- Project Period (FY)
  2001 – 2002
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
生体内化学反応における量子トンネル効果の役割Principal Investigator
- Principal Investigator
  
  牛山浩
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  The University of Tokyo
Dynamics and chaos of molecules
- Principal Investigator
  
  TAKATSUKA Kazuo
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  The Univensity of Tokyo

[Book] 東京大学工学教程　基礎系化学　量子化学2017
- Author(s)
  牛山　浩・山下　晃一
- Total Pages
  90
- Publisher
  丸善出版
- ISBN
- Data Source
  KAKENHI-PLANNED-16H06441
[Journal Article] Multiscale Simulations for Lithium-Ion Batteries: SEI Film Growth and Capacity Fading2017
- Author(s)
  Chikashi Shinagawa, Hiroshi Ushiyama, and Koichi Yamashita
- Journal Title
  
  J. Electrochem. Soc.
  
  Volume: 164 Issue: 13 Pages: A3018-A3024
- DOI
  10.1149/2.0381713jes
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-16H06441
[Journal Article] Black phosphorus as a high-capacity and high-capability negative electrode for sodium-ion batteries: Investigation of the Electrode/Electrolyte Interface2016
- Author(s)
  M. Dahbi, N. Yabuuchi, M. Fukunishi, K. Kubota, K. Chihara, K. Tokiwa, X-f.Yu, H. Ushiyama, K. Yamashita, J-y. Son, Y-t. Cui, H. Oji, S. Komaba
- Journal Title
  
  Chem. Mater.
  
  Volume: 28 Issue: 6 Pages: 1625-1635
- DOI
  10.1021/acs.chemmater.5b03524
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] Atomic-scale analysis of the RuO2/water interface under electrochemical conditions2016
- Author(s)
  E. Watanabe, J. Rossmeisl, M. Bjorketun, H. Ushiyama, K. Yamashita
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 120 Issue: 15 Pages: 8096-8103
- DOI
  10.1021/acs.jpcc.5b12448
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-16H06441
[Journal Article] Theoretical studies on ammonia borane dehydrogenation catalyzed by iron pincer complexes2016
- Author(s)
  Ayaka Kuroki, Hiroshi Ushiyama, Koichi Yamashita
- Journal Title
  
  Computational and Theoretical Chemistry, 1090, 214-217
  
  Volume: 1090 Pages: 214-217
- DOI
  10.1016/j.comptc.2016.06.017
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-16H06441
[Journal Article] A new implementation of ab initio Ehrenfest dynamics using electronic configuration basis; exact formulation with molecular orbital connection and effective propagation scheme with locally quasi-diabatic representation2016
- Author(s)
  Tomotaka Kunisada, Hiroshi Ushiyama, Koichi Yamashita
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 116 Issue: 16 Pages: 1205-1213
- DOI
  10.1002/qua.25156
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-16H06441
[Journal Article] Quantum chemical approach for highly durable anion exchange groups in solid-state alkaline fuel cells2016
- Author(s)
  K. Matsuyama, H. Ohashi, S. Miyanishi, H. Ushiyama and T. Yamaguchi
- Journal Title
  
  RSC Advances
  
  Volume: 6 Issue: 43 Pages: 36269-36272
- DOI
  10.1039/c5ra27939a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550011, KAKENHI-PROJECT-26820336
[Journal Article] Electron Wavepacket Approaches to Non-adiabatic Transition Processes in the Internal Rotational Motion of H2CNH2 + -Charge Oscillation due to Electronic Coherence-2015
- Author(s)
  Tomotaka Kunisada, Hiroshi Ushiyama, Koichi Yamashita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 635 Pages: 345-349
- DOI
  10.1016/j.cplett.2015.06.081
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] Theoretical studies on the mechanism for the oxygen reduction reaction on clean and O-substituted Ta3N5(100) surfaces2015
- Author(s)
  Eriko Watanabe, Hiroshi Ushiyama, and Koichi Yamashita
- Journal Title
  
  Catalysis Science & Technology
  
  Volume: 5 Issue: 5 Pages: 2769-2776
- DOI
  10.1039/c5cy00088b
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] heoretical studies on membranes and non-platinum catalysts for polymer electrolyte fuel cells2015
- Author(s)
  Hiroshi Ushiyama
- Journal Title
  
  AIP Conf. Proc.
  
  Volume: 1702 Pages: 090045-090045
- DOI
  10.1063/1.4938853
- Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] First-principles study of fast Na diffusion in Na3POriginal2014
- Author(s)
  Xue-fang Yu, Giacomo Giorgi, Hiroshi Ushiyama, Koichi Yamashita
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 612 Pages: 129-133
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] Carbonate-Promoted Catalytic Activity of Potassium Cations for Soot Combustion by Gaseous Oxygen2014
- Author(s)
  Masaru Ogura, Riichiro Kimura, Hiroshi Ushiyama, Fumiya Nikaido, Koichi Yamashita, and Tatsuya Okubo
- Journal Title
  
  ChemCatChem
  
  Volume: 6 Issue: 2 Pages: 479-484
- DOI
  10.1002/cctc.201300736
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] The proton conduction mechanism in a material consisting of packed acids2014
- Author(s)
  akaya Ogawa, Takashi Aonuma, Takanori Tamaki, Hidenori Ohashi, Hiroshi Ushiyama, Koichi Yamashita and Takeo Yamaguchi
- Journal Title
  
  Chem. Sci.
  
  Volume: 5 Pages: 4878-4887
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] Theoretical studies on the　stabilities and reactivities of Ta3N5 (100) surfaces2013
- Author(s)
  Eriko Watanabe, Hiroshi Ushiyama, and Koichi Yamashita
- Journal Title
  
  CHEMICAL PHYSICS LETTERS
  
  Volume: 561 Pages: 57-62
- DOI
  10.1016/j.cplett.2012.12.068
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550011
[Journal Article] Theoretical Studies on Proton Transfer among High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules2011
- Author(s)
  Takaya; Ushiyama, Hiroshi; Lee, Ju Myeung; Yamaguchi, Takeo; Yamashita, Koichi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 115 Pages: 5599-5606
- Data Source
  KAKENHI-PROJECT-21550007
[Journal Article] Redox-responsive molecular helices with highly condensed -clouds2011
- Author(s)
  Eisuke Ohta, Hiroyasu Sato, Shinji Ando, Atsuko Kosaka, Takanori Fukushima, Daisuke Hashizume, Mikio Yamasaki, Kimiko Hasegawa, Azusa Muraoka, Hiroshi Ushiyama, Koichi Yamashita, Takuzo Aida
- Journal Title
  
  Nature Chemistry
  
  Volume: 3 Issue: 1 Pages: 68-73
- DOI
  10.1038/nchem.900
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550007, KAKENHI-PROJECT-23750223
[Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion-exchange as a Catalyst for Diesel Soot Combustion2011
- Author(s)
  Riichiro Kimura, S.P.Elangovan, Masaru Ogura, Hiroshi Ushiyama, Tatsuya Okubo
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 115 Issue: 30 Pages: 14892-14898
- DOI
  10.1021/jp2034664
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-10J07195, KAKENHI-PROJECT-21550007
[Journal Article] Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion Exchange as a Catalyst for Diesel Soot Combustion2011
- Author(s)
  Kimura, Riichiro; Elangovan, S. P.; Ogura, Masaru; Ushiyama, Hiroshi ; Okubo, Tatsuya
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY C
  
  Pages: 11514892-14898
- Data Source
  KAKENHI-PROJECT-21550007
[Journal Article] Redox-responsive molecular helices with highly condensed π -clouds2011
- Author(s)
  Eisuke Ohta, Hiroyasu Sato, Shinji Ando, Atsuko Kosaka, Takanori Fukushima, Daisuke Hashizume, Mikio Yamasaki, Kimiko Hasegawa, Azusa Muraoka, Hiroshi Ushiyama , Koichi Yamashita and Takuzo Aida
- Journal Title
  
  Nature Chemistry
  
  Volume: Vol.3, No.1
- Data Source
  KAKENHI-PROJECT-21550007
[Journal Article] Theoretical Studies on the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate2010
- Author(s)
  Takaya Ogawa, Hiroshi Ushiyama, Koichi Yamashitaa, Ju-Myeung Lee, Takeo Yamaguchi
- Journal Title
  
  Chem.Lett.
  
  Volume: 39 Pages: 736-737
- NAID
  10027182778
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550007
[Journal Article] Theoretical and Experimental Studies on Reaction Mechanism for Aerobic Alcohol Oxidation by Supported Ruthenium Hydroxide Catalysts2010
- Author(s)
  Fumiya Nikaidou, Hiroshi Ushiyama, Kazuya Yamaguchi, Koichi Yamashita, Noritaka Mizuno
- Journal Title
  
  J.Phys.Chem.C
  
  Volume: 114 Pages: 10873-10880
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550007
[Journal Article] Hydrogen-Bonding Dynamics in AqueousSolutions of Amides and Acids : Monomer, Dimer, Trimer and Polymer2008
- Author(s)
  Hideaki Shirota and Hiroshi Ushiyama
- Journal Title
  
  J. Phys.Chem B112
  
  Pages: 13542-13551
- Data Source
  KAKENHI-PROJECT-19550007
[Journal Article] Hydrogen-Bonding Dynamics in Aqueous Solutions of Amides and Acids : Monomer, Dimer, Trimer and Polymer2008
- Author(s)
  Hideaki Shirota and Hiroshi Ushiyama
- Journal Title
  
  J. Phys. Chem. B 112
  
  Pages: 13542-13551
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20037015
[Journal Article] Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen-Atom Migration in H20+H30+2007
- Author(s)
  Hiroshi Ushiyama and Kazuo Takatsuk
- Journal Title
  
  Angew. Chem. Int. Ed. 46
  
  Pages: 587-590
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550007
[Journal Article] Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen-Atom Migration in H_2O + H_3O^+2007
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angewandte Chemie Int. Ed. 46
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen-Atom Migration in H2O+H3O+2007
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angew.Chem.Int.Ed. 46
  
  Pages: 587-587
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde : An ab initio study of time-resolved photoelectron spectra2007
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, K.Takatsuka, K.Wang, V.McKoy
- Journal Title
  
  J. Chem. Phys. 126
- Data Source
  KAKENHI-PROJECT-18105001
[Journal Article] Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde : An ab initio study of timeresolved photoelectron spectra2007
- Author(s)
  M.T.do N.Varella, Y.Arasaki, H.Ushiyama, K.Takatsuka, K.Wang, V.McKoy
- Journal Title
  
  J.Chem.Phys. 126
  
  Pages: 54303-54303
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Mechanism of the elementary processes of electron wavepacket dynamics coupled with proton and hydrogen-atom migration in H_2O ^+H_3O^+2007
- Author(s)
  Hiroshi Ushiyama and Kazuo Takatsuka
- Journal Title
  
  Angew. Chem. Intl. Ed. 46
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-18105001
[Journal Article] Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: An ab initio study of timeresolved photoelectron spectra2007
- Author(s)
  Marcio T. do N. Varella, Yasuki Arasaki, Hiroshi Ushiyama, Kazuo Takatsuka
- Journal Title
  
  J. Chem. Phys. 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19550007
[Journal Article] Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: ab initio study of time-resolved photoelectron spectra.2007
- Author(s)
  M. T-N. Varella, Y. Arasaki, H. Ushiyama, K. Takatsuka, K. Wang, V. McKoy
- Journal Title
  
  J. Chem. Phys. 126
  
  Pages: 54303-54303
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen-Atom Migration in H_2O + H_3O^+2007
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angewandte Chemie Int. Ed. 46
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-18105001
[Journal Article] Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde : An ab initio study of time-resolved photoelectron spectra2007
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, K.Takatsuka, K.Wang, V.McKoy
- Journal Title
  
  J. Chem. Phys. 126
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Mechanism of the elementary processes of electron wavepacket dynamics coupled with proton and hydrogen-atom migration in H2O+H3O+2007
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angew.Chem.Intl.Ed. 46
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-18105001
[Journal Article] Mechanisms of the ElementaryProcesses of Electron WavepacketDynamics Coupled with Proton Transferand Hydrogen-AtomMigration in H2O+H3O+2007
- Author(s)
  Hiroshi Ushiyama and Kazuo Takatsuka
- Journal Title
  
  Angew. Chem. Int. Ed 46
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-19550007
[Journal Article] Real-time observation of intramolecularproton transfer in the electronic groundstate of chloromalonaldehyde : An ab initio study of timeresolvedphotoelectron spectra2007
- Author(s)
  Marcio T. do N. Varella, Yasuki Arasaki, Hiroshi Ushiyama, Kazuo Takatsuka, Kwanghsi Wang, Vincent McKoy
- Journal Title
  
  J. Chem. Phys 126
- Data Source
  KAKENHI-PROJECT-19550007
[Journal Article] Mechanism of the elementary processes of electron wavepacket dynamics coupled with proton and hydrogen-atom migration in H2O + H3O+.2007
- Author(s)
  H. Ushiyama, K. Takatsuka
- Journal Title
  
  Angew. Chem. Intl. Ed.
  
  Pages: 587-590
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde : Wave-packet dynamics on effective potential surfaces of reduced dimensionality2006
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J. Chem. Phys. 124
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde : Wave-packet dynamics on effective potential surfaces of reduced dimensionality2006
- Author(s)
  M.T.do N.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 124
  
  Pages: 154302-154302
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde : wave packet dynamics on effective potential surfaces of reduced dimensionality.2006
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 124
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalona ldehyde : wave packet dynamics on effective potential surfaces of reduced dimensionality.2006
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J. Chem. Phys. 124
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde: Wave-packet dynamics on effective potential surfaces of reduced dimensionality2006
- Author(s)
  M.T.N. Varella, Y. Arasaki, H. Ushiyama, V. McKoy, K. Takatsuka
- Journal Title
  
  Chem. Phys. 124
  
  Pages: 154302-154302
- Data Source
  KAKENHI-PROJECT-18066004
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde : Wave-packet dynamics on effective potential surfaces of reduced dimensionality2006
- Author(s)
  M.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J. Chem. Phys. 124
- Data Source
  KAKENHI-PROJECT-18105001
[Journal Article] Methyl group rotation driven by proton-transfer through a long-range chemical interaction2005
- Author(s)
  Hiroshi Ushiyama, Kazuo Takatsuka
- Journal Title
  
  Angew.Chem.Intl.Ed. 44
  
  Pages: 1237-1240
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Methyl group rotation driven by proton transfer through a long-range chemical interaction.2005
- Author(s)
  Hiroshi Ushiyama, Kazuo Takatsuka
- Journal Title
  
  Angew. Chem. Intl. Ed. 44
  
  Pages: 1237-1240
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 122
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Methyl group rotation driven by proton-transfer through a long-range chemical interaction.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angewandte Chemie International Edition 44
  
  Pages: 1237-1237
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Very fast tunneling in the early stage of reaction dynamics.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Phys.Chem.A 109
  
  Pages: 11807-11814
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Methyl group rotation driven by proton transfer through a long-range chemical interaction.2005
- Author(s)
  Hiroshi Ushiyama, Kazuo Takatsuka
- Journal Title
  
  Angew.Chem.Intl.Ed. 44
  
  Pages: 1237-1240
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Very fast tunneling in the early stage of reaction dynamics2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Phys.Chem.A 109
  
  Pages: 11807-11814
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Dynamical hydrogen atom tunneling in dichlorotropolone : A combinedquantum, semiclassical, and classical study.2005
- Author(s)
  K.Giese, H.Ushiyama, K.Takakatsuka, O.Kuehn
- Journal Title
  
  J. Chem. Phys. 122
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Dynamical hydrogen atom tunneling in dichlorotropolone : A combined quantum, semiclassical, and classical study2005
- Author(s)
  K.Giese, H.Ushiyama, K.Takatsuka, O.Kuehn
- Journal Title
  
  J.Chem.Phys. 122
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Dynamical hydrogen atom tunneling in dichlorotropolone: A combined quantum, semiclassical and classical study.2005
- Author(s)
  K.Giese, H.Ushiyama, K.Takatsuka, O.Kuhn
- Journal Title
  
  Journao of Chemical Physics 122
  
  Pages: 124307-124307
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Very fast tunneling in the early stage of reaction dynamics.2005
- Author(s)
  Y.Ushiyama, K.Takatsuka
- Journal Title
  
  Journal of Physical Chemistry A 109
  
  Pages: 11807-11807
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Journal of Chemical Physics 122
  
  Pages: 224112-224112
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Dynamical hydrogen atom tunneling in dichlorotropolone : A combinedquantum, semiclassical, and classical study.2005
- Author(s)
  K.Giese, H.Ushiyama, K.Takakatsuka, O.Kuehn
- Journal Title
  
  J.Chem.Phys. 122
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 122
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Methyl group rotation driven by proton-transfer through a long-range chemical interaction2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  Angew.Chem.Intl.Ed. 44
  
  Pages: 1237-1240
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J. Chem. Phys. 122
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Very fast tunneling in the early stage of reaction dynamics.2005
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J. Phys. Chem. A 109
  
  Pages: 11807-11814
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-dependent probability of quantum tunneling in terms of the quasisemiclassical method.2004
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 120
  
  Pages: 4561-4572
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-dependent probability of quantum tunneling in termsof quasi-semiclassical method.2004
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. 120
  
  Pages: 4561-4572
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-dependent probability of quantum tunneling in terms of the quasisemiclassical method.2004
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  J. Chem. Phys. 120
  
  Pages: 4561-4572
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Dynamical hydrogen atom tunneling in dichlorotropolone : A combined quantum, semiclassical, and classical study.2004
- Author(s)
  K.Giese, H.Ushiyama, K.Takakatsuka, O.Kuehn
- Journal Title
  
  J.Chem.Phys. (印刷中)
- Data Source
  KAKENHI-PROJECT-15205003
[Journal Article] Time-dependent probability of quantum tunneling in terms of the quasisemiclassical method.2004
- Author(s)
  H.Ushiyama, K.Takatsuka
- Journal Title
  
  The Journal of Chemical Physics 120
  
  Pages: 4561-4561
- Data Source
  KAKENHI-PROJECT-16750006
[Journal Article] Time-resolved photoelectron spectroscopy of proton transfer in the grouond state of chloromalonaldehyde : wave packet dynamics on effective potential surfaces of reduced dimensionality
- Author(s)
  Marcio T.do N.Varella, Y.Arasaki, H.Ushiyama, V.McKoy, K.Takatsuka
- Journal Title
  
  J.Chem.Phys. (印刷中)
- Data Source
  KAKENHI-PROJECT-15205003
[Presentation] Ni担持触媒における炭素析出反応の理論的研究2017
- Author(s)
  水上範貴・鎌田博之・牛山浩
- Organizer
  第120回触媒討論会
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] 理論計算による担持金属触媒のスクリーニング-CO酸化反応における実験的検証-2017
- Author(s)
  土屋明宏・大山順也・金田一麟平・岩田理比等・牛山浩・山下晃一・薩摩篤
- Organizer
  第120回触媒討論会
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] オライト系触媒でのNO直接分解反応の理論的研究2017
- Author(s)
  石田宗一郎・山下晃一・牛山浩
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] 「Naイオン電池負極材料Snにおける充放電過程の理論的研究」2016
- Author(s)
  児玉涼介，Arabnejad Saeid，牛山浩，山下晃一
- Organizer
  第10回分子科学討論会2016
- Place of Presentation
  神戸ファッションマート
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] 「Naイオン二次電池負極材料MXeneに関する理論的研究」2016
- Author(s)
  倉橋駿介、牛山浩、山下晃一
- Organizer
  第10回分子科学討論会2016
- Place of Presentation
  神戸ファッションマート
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] 「改良Basin-Hopping法を用いた反応中間体の構造探索」2016
- Author(s)
  今村友信, 牛山浩, 山下晃一
- Organizer
  第10回分子科学討論会2016
- Place of Presentation
  神戸ファッションマート
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] 「不均一触媒反応に対する理論化学手法による取り組み」2016
- Author(s)
  牛山　浩
- Organizer
  第118回触媒討論会
- Place of Presentation
  岩手大学
- Year and Date
  2016-09-21
- Invited
- Data Source
  KAKENHI-PLANNED-16H06441
[Presentation] アルカリ金属炭酸塩を担持させたすす燃焼触媒の反応機構についての理論的研究2015
- Author(s)
  今村友信,牛山浩,山下晃一
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京都目黒区　東京工業大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] Theoretical studies on the mechanism of alkali carbonate loaded on aluminosilicate catalysts for soot combustion2015
- Author(s)
  Tomoshi Imamura, Hiroshi Ushiyama, Koichi Yamashita
- Organizer
  PACIFICHEM 2015
- Place of Presentation
  米国・ハワイ
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] Multiscale simulation for lithium-ion battery focused on SEI film growth and capacity fade2015
- Author(s)
  C. Shinagawa, H. Ushiyama, K. Yamashita
- Organizer
  PACIFICHEM 2015
- Place of Presentation
  米国・ハワイ
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] Theoretical studies on interaction between metal cluster and ceria: Therole of ceria in CO adsorption2015
- Author(s)
  Rinpei Kindaichi,Hirishi Ushiyama,Koishi Yamashita
- Organizer
  PACIFICHEM 2015
- Place of Presentation
  米国・ハワイ
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] 第一原理計算に基づく窒化物光触媒材料(d0型・d10型)のキャリア寿命に関する研究2015
- Author(s)
  渡部絵里子、河合宏樹、牛山浩、山下晃一
- Organizer
  第116回触媒討論会
- Place of Presentation
  三重県津市　三重大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] 金属-CeO2間相互作用がCO吸着に及ぼす影響に関する理論的研究2015
- Author(s)
  金田一麟平,牛山浩,山下晃一
- Organizer
  第116回触媒討論会
- Place of Presentation
  三重県津市　三重大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] ナトリウムイオン電池正極材料Na2FePO4Fの充放電過程に関する理論的研究2015
- Author(s)
  品川幾, 牛山浩, 山下晃一
- Organizer
  第56回電池討論会
- Place of Presentation
  愛知県名古屋市　愛知県産業労働センター
- Year and Date
  2015-11-11
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] 窒化タンタルの表面酸化反応と触媒活性変化の理論的研究2012
- Author(s)
  渡部絵里子, 牛山浩, 山下晃一
- Organizer
  日本化学会
- Place of Presentation
  神奈川大学横浜キャンパス
- Year and Date
  2012-03-26
- Data Source
  KAKENHI-PROJECT-21550007
[Presentation] Proton transfer dynamics2010
- Author(s)
  Hiroshi Ushiyama
- Organizer
  New Frontier in Quantum Chemical Dynamics
- Place of Presentation
  Okazaki Conference Center
- Data Source
  KAKENHI-PROJECT-21550007
[Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids2010
- Author(s)
  Hiroshi Ushiyama
- Organizer
  13th International Conference on Theoretical Aspects of Catalysis
- Place of Presentation
  Matsushima Ichinobo Hotel, Japan
- Data Source
  KAKENHI-PROJECT-21550007
[Presentation] Theoretical Studies on Metal Oxide Nanosheet Solid Acids2010
- Author(s)
  Hiroshi Ushiyama
- Organizer
  13th International Conference on Theoretical Aspects of Catalysis
- Place of Presentation
  Matsushima, Japan.
- Data Source
  KAKENHI-PROJECT-21550007
[Presentation] 固体高分子型燃料電池の電解質膜におけるプロトン伝導機構の理論的解明-ZrP-SPES系-2009
- Author(s)
  小川敬也・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  日本大学理工学部船橋キャンパス
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] In/Cu(001)表面における電荷密度波転移のJahn-Teller 効果による表現2009
- Author(s)
  大戸達彦・野島彰紘・中村恒夫・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  日本大学理工学部船橋キャンパス
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] プラチナ表面のH2O/OH クラスター中でのプロトン移動の理論的研究2009
- Author(s)
  千布勇気・マンゾスセルゲイ・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  日本大学理工学部船橋キャンパス
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] 無機酸化物に担持された水酸化ルテニウム触媒を用いた化学反応の理論的研究2009
- Author(s)
  二階堂文也・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  日本大学理工学部船橋キャンパス
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] K/Cu(111)系における電荷密度波の理論的研究2008
- Author(s)
  大戸達彦、野島彰紘、牛山浩、山下晃一
- Organizer
  日本化学会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19028014
[Presentation] アミドおよびアシド水溶液の水素結合ダイナミクス2008
- Author(s)
  城田秀明・牛山浩
- Organizer
  第2回分子化学討論会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] K/Cu(111)系における電荷密度波の理論的研究2008
- Author(s)
  大戸達彦・野島彰紘・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  立教大学(東京)
- Year and Date
  2008-03-26
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] 原子吸着金属における電荷密度派の第一原理計算2008
- Author(s)
  大戸達也・野島彰紘・牛山浩・神坂英幸・中村恒夫・山下晃一
- Organizer
  第2回分子化学討論会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] 量子化学計算を用いたナノシート固体酸触媒の構造決定および表面反応の解析2008
- Author(s)
  藤田聡、牛山浩、山下晃一
- Organizer
  日本化学会
- Place of Presentation
  立教大学
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19028014
[Presentation] 量子化学計算を用いたナノシート固体酸触媒の構造決定及び表面反応の解析2008
- Author(s)
  藤田聡・牛山浩・山下晃一
- Organizer
  第2回分子化学討論会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] プロトネイティッドベンゼンにおけるプロトン移動ダイナミクス2008
- Author(s)
  牛山浩
- Organizer
  第2回分子化学討論会
- Place of Presentation
  福岡国際会議場
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] 量子化学計算を用いたナノシート固体酸触媒の構造決定及び表面反応の解析2008
- Author(s)
  藤田聡・牛山浩・山下晃一
- Organizer
  日本化学会
- Place of Presentation
  立教大学(東京)
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-19550007
[Presentation] Theoretical studies on the mechanism of proton transfer among high density acid groups in polymer electrolyte fuel cells
- Author(s)
  Hiroshi Ushiyama
- Organizer
  International Workshop on Extended-nano Fluidics (IWENF2015)
- Place of Presentation
  東京大学小柴ホール、東京
- Year and Date
  2015-03-26 – 2015-03-27
- Invited
- Data Source
  KAKENHI-PROJECT-24550011
[Presentation] Theoretical Studies on Membranes and Non-Platinum Catalysts for Polymer Electrolyte Fuel Cells
- Author(s)
  Hiroshi Ushiyama
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2015
- Place of Presentation
  アテネ、ギリシャ
- Year and Date
  2015-03-20 – 2015-03-23
- Invited
- Data Source
  KAKENHI-PROJECT-24550011
[]
[]
[]

1. TAKATSUKA Kazuo (70154797)

# of Collaborated Projects: 4 results

# of Collaborated Products: 28 results
2. TAKAHASHI Satoshi (20456180)

# of Collaborated Projects: 3 results

# of Collaborated Products: 0 results
3. YAMASHITA Koichi (40175659)

# of Collaborated Projects: 3 results

# of Collaborated Products: 2 results
4. NAKAMURA Hisao (30345095)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. SERGEI Manzhos (90534579)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. Maeda Kazuhiko (40549234)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 長谷川哲也 (10189532)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 田部勢津久 (20222119)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. 松石聡 (30452006)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 内本喜晴 (50193909)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 森孝雄 (90354430)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

USHIYAMA Hiroshi 牛山 浩

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Electron Dynamics Studies on the Mechanism of Catalytic ReactionsPrincipal Investigator

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Development of Protonics: applications to proton penetrate membrane and photo catalystsPrincipal Investigator

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不均一触媒反応の理解を目指した理論・計算化学手法の開発Principal Investigator

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Theoretical studies on quantum effects for multidimensional protontransfer reactionsPrincipal Investigator

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比較的大きな系におけるプロトン移動反応の量子・半古典ダイナミクスPrincipal Investigator

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生体内プロトン移動反応における集団的量子トンネル運動Principal Investigator

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生体内化学反応における量子トンネル効果の役割Principal Investigator

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USHIYAMA Hiroshi 牛山浩

[Book] 東京大学工学教程　基礎系化学　量子化学2017