Tachikawa Hiroto 田地川浩人

… Alternative Names

Researcher Number	10207045
Other IDs
External Links
Affiliation (Current)	2021: 北海道大学, 工学研究院, 助教
Affiliation (based on the past Project Information) *help	2021: 北海道大学, 工学(系)研究科(研究院), 助教 2021: 北海道大学, 工学研究院, 助教 2016 – 2019: 北海道大学, 工学研究院, 助教 2012 – 2015: 北海道大学, 工学(系)研究科(研究院), 助教 2010 – 2011: 北海道大学, 大学院・工学研究院, 助教 … More
Review Section/Research Field	Principal Investigator Physical chemistry / Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Transformative Research Areas, Section (II) Except Principal Investigator 物理化学一般 / Physical chemistry / Science and Engineering / 工業分析化学 / Civil engineering materials/Construction/Construction management
Keywords	Principal Investigator 反応動力学 / クラスター / 反応設計 / プロトン移動 / アブイニシオ計算 / トラジェクトリー / 媒質効果 / イオン化 / 電子捕捉 / SN2反応 … More Except Principal Investigator 分子動力学 / シミュレーション / ESR / ポリアセチレン / 電導性ポリマ- / パルスラジオリシス / ポリマ-溶液 / 放射線化学 / ラジカルイオン / ポリマ-イオン / 局在化電子 / 炭素クラスター / ナノ材料開発 / リチウムバッテリー / 拡散ダイナミックス / 機能設計 / 分子進化 / 星間分子雲 / 氷 / 鉱物 / 物質進化 / 理論計算 / 宇宙科学 / 惑星起源・進化 / 計算物理 / 原子・分子物理 / 物性理論 / 計算機シミュレーション / 水素引抜反応 / 水素付加反応 / 低温化学 / トンネル反応 / 非断熱反応 / 新反応理論 / アルケン / 水素引き抜き反応 / アルカン / 水素原子 / 固相反応 / トンネリング / 化学反応理論 / Hydrogen abstraction / Hydrogen addition / Low-temperature chemistry / Tunneling reaction / Non-adiabstic reaction / New reaction theory / 装置 / 断熱高速通過 / 時間領域ESR / ポリシラン / 高速ESR / パルス磁場 / 非断熱測定 / 高速磁場掃引 / Instrument / Adiabatic rapid-passage / Time domain ESR / アルカリ / セメント水和物 / アルミノ珪酸カルシウム / 量子化学 / ＮＭＲ / 収着 / C-A-S-H / 相互作用 / 固体NMR / 量子化学計算 / 分子動力学計算 / 計算科学 / 量子力学計算 / フェロシアン化物 / セシウム / 吸着 / 個体NMR Less

Real-time reaction dynamics of micro-solvated clusters by direct ab initio MD methodPrincipal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hokkaido University
ダイレクト・アブイニシオMD法による光誘起・宇宙化学反応の理論解明Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  2021 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hokkaido University
ダイレクト・アブイニシオMD法による微視的溶媒和クラスター反応の実時間追尾Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hokkaido University
Improvement of the durability of concrete for very long-term by computational science for the interaction between cement hydrates and alkalis
- Principal Investigator
  
  YAMADA KAZUO
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Civil engineering materials/Construction/Construction management
- Research Institution
  National Institute for Environmental Studies
Direct Ab-initio Molecular Dynamics (AIMD) Study on the Effects of Micro-solvation on the Reaction Mechanisms in Hydrated Clusters.Principal Investigator
- Principal Investigator
  
  Tachikawa Hiroto
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Theoretical Modeling of Surface Processes and MC- and PP-disk chemistry
- Principal Investigator
  
  Fukazawa Tomoko
- Project Period (FY)
  2013 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Meiji University
Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-Solvated ClustersPrincipal Investigator
- Principal Investigator
  
  TACHIKAWA Hiroto
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Direct ab-initio MD Study on real time reaction dynamics of solvation clusters.Principal Investigator
- Principal Investigator
  
  TACHIKAWA Hiroto
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Development of direct ab-initio dynamics method and its application to molecular designsPrincipal Investigator
- Principal Investigator
  
  TACHIKAWA Hiroto
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Development of direct ab-initio dynamics method and its application to reaction designPrincipal Investigator
- Principal Investigator
  
  TACHIKAWA Hiroto
- Project Period (FY)
  2003 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
ダイレクトダイナミックス法によるダイアモンド、グラファイト中の化学種の拡散機構
- Principal Investigator
  
  清水晃
- Project Period (FY)
  2002 – 2004
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Development of full dimensional ab-initio direct dynamics method and its application to chemical reactionsPrincipal Investigator
- Principal Investigator
  
  TACHIKAWA Hiroto
- Project Period (FY)
  2001 – 2002
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
ダイレクト・アブイニシオ・ダイナミックス法によるイオン・分子反応の理論的研究Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  1998 – 1999
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
水素原子トンネル移動反応への媒質効果に関する理論的研究Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Hokkaido University
気相プロトン移動反応における量子状態選択性に関する理論的研究Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
化学反応における振動・回転量子状態選択性に関する理論的研究Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Construction of adiabatic rapid-passage ESR spectrometer
- Principal Investigator
  
  ICHIKAWA Tsuneki
- Project Period (FY)
  1994 – 1995
- Research Category
  
  Grant-in-Aid for Developmental Scientific Research (B)
- Research Field
  
  工業分析化学
- Research Institution
  HOKKAIDO UNIVERSITY
状態選択された分子の反応ダイナミックスに関する理論的研究Principal Investigator
- Principal Investigator
  
  田地川浩人
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Hokkaido University
Mechanically-controlled Chemical Reaction
- Principal Investigator
  
  ICHIKAWA Tsumeki
- Project Period (FY)
  1992 – 1993
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  物理化学一般
- Research Institution
  (Faculty of Engineering) Hokkaido University
置換ポリアセチレンにおける過剰電子の局在化と非局在化
- Principal Investigator
  
  小笠原正明
- Project Period (FY)
  1991
- Research Category
  
  Grant-in-Aid for General Scientific Research (C)
- Research Field
  
  物理化学一般
- Research Institution
  Hokkaido University

[Journal Article] Mechanism of Li storage on graphene nanoflakes: Density functional theory study2020
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  Surface Science
  
  Volume: 691 Pages: 121489-121489
- DOI
  10.1016/j.susc.2019.121489
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] 宇宙の化学反応を実時間で追う：ダイレクト・アブイニシオ分子動力学法によるアプローチ2020
- Author(s)
  田地川浩人
- Journal Title
  
  低温科学
  
  Volume: 78 Pages: 141-154
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] A density functional theory study on the carbon defect in a graphene nano-flake surface promoting hydrogenation2020
- Author(s)
  Kawabata Hiroshi、Tachikawa Hiroto
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 59 Pages: 025508-025508
- DOI
  10.35848/1347-4065/ab6be3
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] 星間分子 PAH と分子，およびラジカルの相互作用：量子化学的解明2020
- Author(s)
  福澄孝博，田地川浩人
- Journal Title
  
  低温科学
  
  Volume: 78 Pages: 155-164
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Local Structures and Electronic States of C-S-H－Sodium－H2O Interface: NMR and DFT Studies2020
- Author(s)
  Tachikawa Hiroto、Haga Kazuko、Watanabe Sadayuki、Yamada Kazuo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 124 Pages: 5672-5680
- DOI
  10.1021/acs.jpcc.9b11302
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021, KAKENHI-PROJECT-17H03292
[Journal Article] Intramolecular Reactions in Ionized Ammonia Clusters: A Direct Ab Initio Molecular Dynamics Study2020
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 124 Pages: 1903-1910
- DOI
  10.1021/acs.jpca.9b11122
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Methyl radical addition to the surface of graphene nanoflakes: A density functional theory study2019
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  Surface Science
  
  Volume: 679 Pages: 196-201
- DOI
  10.1016/j.susc.2018.09.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Hydrofluorination to C60 fullerene and its electronic structures in the gas phase using density functional theory study2019
- Author(s)
  Kawabata Hiroshi、Tachikawa Hiroto
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 58 Issue: 12 Pages: 121001-121001
- DOI
  10.7567/1347-4065/ab509a
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Water-accelerated π-Stacking Reaction in Benzene Cluster Cation2019
- Author(s)
  Tachikawa Hiroto、Iura Ryoshu、Kawabata Hiroshi
- Journal Title
  
  Scientific Reports
  
  Volume: 9 Pages: 2377-2377
- DOI
  10.1038/s41598-019-39319-7
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Mechanism of Hydrogen Storage in the Graphene Nanoflake:Lithium-H2 System2019
- Author(s)
  Tachikawa Hiroto、Iyama Tetsuji
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 123 Pages: 8709-8716
- DOI
  10.1021/acs.jpcc.9b01152
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Molecular orbital studies of the initial process of gallium oxide chemical vapor deposition: micro-hydrolysis of triethylgallium2019
- Author(s)
  Kawabata Hiroshi、Tachikawa Hiroto
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 58 Issue: 6 Pages: 061010-061010
- DOI
  10.7567/1347-4065/ab2227
- NAID
  210000156046
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Additions of fluorine atoms to the surfaces of graphene Nanoflakes:A density functional theory study2019
- Author(s)
  Tachikawa Hiroto、Kawabata Hiroshi
- Journal Title
  
  Solid State Sciences
  
  Volume: 97 Pages: 106007-106007
- DOI
  10.1016/j.solidstatesciences.2019.106007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Timescale of π-Stacking Formation in a Benzene Trimer Cation Formed by Ionization of the Parent Neutral Trimer: A Direct Ab Initio Molecular Dynamics Study2018
- Author(s)
  TACHIKAWA Hiroto, MIYAZAWA Yoshiyuki, IURA Ryoshu
- Journal Title
  
  ChemistrySelect
  
  Volume: 3 Pages: 1113-1119
- DOI
  10.1002/slct.201702663
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05371, KAKENHI-PROJECT-18K05021
[Journal Article] Jahn-Teller Effect of the Benzene Radical Cation: A Direct ab Initio Molecular Dynamics Study2018
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 122 Pages: 4121-4129
- DOI
  10.1021/acs.jpca.8b00292
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05021
[Journal Article] Density functional theory study on oligosilane-functionalized C60 fullerene2017
- Author(s)
  Saori Yoshizawa, Shigeaki Abe, Mami Mutoh, Teruo Kusaka, Hiroto Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 56
- NAID
  210000147387
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Electronic Structures of Hydrogen Functionalized Fullerenes: Density Functional Theory (DFT) Study2017
- Author(s)
  Tachikawa Hiroto, Iyama Tetsuji, Kawabata Hiroshi
- Journal Title
  
  J. Nanosci. Nanotechnol.
  
  Volume: 17 Pages: 8835-8841
- DOI
  10.1166/jnn.2017.14364
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Effects of zero point vibration on the reaction dynamics of water dimer cations following ionization2017
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  J. Comput. Chem.
  
  Volume: 38 Pages: 1503-1508
- DOI
  10.1002/jcc.24783
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Mechanism of K+ , Cs+ ion exchange in nickel ferrocyanide: A density functional theory study2017
- Author(s)
  Tachikawa Hiroto、Haga Kazuko、Yamada Kazuo
- Journal Title
  
  Comput. Theor. Chem.
  
  Volume: 1115 Pages: 175-178
- DOI
  10.1016/j.comptc.2017.06.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H03292, KAKENHI-PROJECT-15K05371
[Journal Article] Effects of micro-solvation on the reaction dynamics of biphenyl cations following hole capture2017
- Author(s)
  H. Tachikawa
- Journal Title
  
  Chem. Phys.
  
  Volume: 490 Pages: 12-18
- DOI
  10.1016/j.chemphys.2017.03.012
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Proton Transfer Rates in Ionized Hydrogen Chloride-Water Clusters: A Direct Ab Initio Molecular Dynamics Study2017
- Author(s)
  Tachikawa Hiroto
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 121 Pages: 5237-5244
- DOI
  10.1021/acs.jpca.7b05112
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Hydrogen atom addition to the surface of graphene nanoflakes: A density functional theory study2017
- Author(s)
  H. Tachikawa
- Journal Title
  
  Appl. Surf. Sci.
  
  Volume: 396 Pages: 1335-1342
- DOI
  10.1016/j.apsusc.2016.11.158
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Density Functional Theory (DFT) Study on Oligosilane-Functionalizeed C60 Fullerene2017
- Author(s)
  S. Yoshizawa, S. Abe, M. Mutoh, T. Kusaka, M. Nakamura, Y. Yoshida, J. Iida, H. Kawabata and H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 56 Issue: 1S Pages: 01AE03-01AE03
- DOI
  10.7567/jjap.56.01ae03
- NAID
  210000147387
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-26462907, KAKENHI-PROJECT-15K15716, KAKENHI-PROJECT-15K05371
[Journal Article] DFT Study on the Interaction of the Smallest Fullerene C20 with Lithium Ions and Atoms2017
- Author(s)
  Hiroshi Kawabata, Hiroto Tachikawa
- Journal Title
  
  C J. Carbon Res.
  
  Volume: 3 Pages: 15-15
- DOI
  10.3390/c3020015
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Electronic states of aryl radical functionalized graphenes: Density functional theory study2016
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 55 Issue: 6S1 Pages: 06GK05-06GK05
- DOI
  10.7567/jjap.55.06gk05
- NAID
  210000146661
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Ionization dynamics of small water clusters: Proton transfer rate2016
- Author(s)
  H. Tachikawa and T. Takada
- Journal Title
  
  Chem. Phys.
  
  Volume: 475 Pages: 9-13
- DOI
  10.1016/j.chemphys.2016.05.024
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Ionization dynamics of water dimer on ice surface2016
- Author(s)
  H. Tachikawa
- Journal Title
  
  Surf. Sci.
  
  Volume: 647 Pages: 1-7
- DOI
  10.1016/j.susc.2015.11.011
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Direct Ab-initio Molecular Dynamics (AIMD) Study on the Radiation Effects on Catalytic Triad composed of Ser-His-Glu residues2016
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 116 Pages: 123-129
- DOI
  10.1002/qua.25032
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Electronic states of alkyl-radical-functionalized C20 fullerene using density functional theory2016
- Author(s)
  S. Abe, S. Kawano, Y. Toida, M. Nakamura, S. Inoue, Y. Yoshida, H. Sano, H. Kawabata, and H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 55 Issue: 3S2 Pages: 03DD03-03DD03
- DOI
  10.7567/jjap.55.03dd03
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K15716, KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Electronic structures of hydrogen functionalized carbon nanotube: Density functional theory (DFT) study2016
- Author(s)
  H. Tachikawa, T. Iyama, and H. Kawabata
- Journal Title
  
  Solid State Sci.
  
  Volume: 44 Pages: 138-143
- DOI
  10.1016/j.solidstatesciences.2016.03.004
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Reaction Dynamics Following Ionization of Ammonia Dimer Adsorbed on Ice Surface2016
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 120 Pages: 7301-7310
- DOI
  10.1021/acs.jpca.6b04699
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Density Functional Theory (DFT) Study on the Ternary Interaction System of the Fluorinated Ethylene Carbonate, Li+ and Graphene Model2016
- Author(s)
  M. Mutoh, S. Abe, K. Nakayama, S. Yoshizawa, M. Nakamura, T. Kusaka, Y. Yoshida J. Iida, and T. Takada
- Journal Title
  
  ATOMS
  
  Volume: 7 Pages: 4-12
- DOI
  10.3390/atoms4010004
- NAID
  130005150633
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K15716, KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Molecular Design of Ionization-Induced Proton Switching Element Based on Fluorinated DNA Base Pair2016
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 120 Pages: 1529-1535
- DOI
  10.1021/acs.jpca.6b00328
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Effects of single water molecule on proton transfer reaction in uracil dimer cation2016
- Author(s)
  H. Tachikawa
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: 135 Pages: 1-9
- DOI
  10.1007/s00214-016-1807-y
- NAID
  120005971287
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction2016
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 120 Pages: 6596-6603
- DOI
  10.1021/acs.jpca.6b05563
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Ionization Dynamics of the Branched Water Cluster: A Long-lived Non-Proton-transferred Intermediate2016
- Author(s)
  H. Tachikawa and T. Takada
- Journal Title
  
  Comput. Theor. Chem.
  
  Volume: 1989 Pages: 13-20
- DOI
  10.1016/j.comptc.2016.05.008
- NAID
  120006491477
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Addition reaction of alkyl radical to C60fullerene: Density functional theory study2016
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 55 Issue: 2S Pages: 02BB01-02BB01
- DOI
  10.7567/jjap.55.02bb01
- NAID
  210000146054
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25108004, KAKENHI-PROJECT-15K05371
[Journal Article] Alkali metal mediated C-C bond coupling reaction.2015
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 142 Pages: 064301-064301
- DOI
  10.1063/1.4906944
- NAID
  120005602526
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
[Journal Article] Electronic states of alkali metal-NTCDA complexes: A DFT study2015
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  Solid State Sci.
  
  Volume: 48 Pages: 141-146
- DOI
  10.1016/j.solidstatesciences.2015.08.002
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K05371
[Journal Article] Initial photooxidation mechanism leading to reactive radical formation of polythiophene derivatives2015
- Author(s)
  Y. Aoyama, T. Yamanari, T. Murakami, H. Tachikawa
- Journal Title
  
  Polymer Journal
  
  Volume: 47 Pages: 26-30
- DOI
  10.1038/pj.2014.81
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24560004, KAKENHI-PROJECT-15K05371, KAKENHI-PROJECT-15K13329, KAKENHI-PLANNED-25108004
[Journal Article] Proton transfer rates in ionized water clusters (H2O)n (n=2-4).2015
- Author(s)
  H. Tachikawa and T. Takada
- Journal Title
  
  RSC Adv.
  
  Volume: 5 Pages: 6945-6953
- DOI
  10.1039/c4ra14763d
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
[Journal Article] Interaction of Methyl Radical (CH3) with C60 Fullerene: Density Functional Theory (DFT) Study2015
- Author(s)
  H. Tachikawa and T. Iyama
- Journal Title
  
  Phys. Status Solidi C
  
  Volume: 12 Pages: 659-663
- DOI
  10.1002/pssc.201400354
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
[Journal Article] Alkali Metal Mediated C-C bond Coupling Reaction2015
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: in press
- NAID
  120005602526
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25108004
[Journal Article] Structures and electronic states of halogen-terminated graphene nano-flakes2015
- Author(s)
  H. Tachikawa and T. Iyama
- Journal Title
  
  Solid State Sci.
  
  Volume: 50 Pages: 91-96
- DOI
  10.1016/j.solidstatesciences.2015.10.016
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K05371, KAKENHI-PLANNED-25108004
[Journal Article] Solvent stripping dynamics of lithium ion solvated by ethylene carbonates: A direct ab-initio molecular dynamics (AIMD) study.2014
- Author(s)
  H. Tachikawa, S. Abe
- Journal Title
  
  Thin Solid Films
  
  Volume: 120 Pages: 148-153
- DOI
  10.1016/j.electacta.2013.12.054
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947, KAKENHI-PLANNED-25108004
[Journal Article] Water-Accelerated OH Addition to Sulfur Dioxide SO2: Direct Ab Initio Molecular Dynamics2014
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 118 Pages: 3230-3236
- DOI
  10.1021/jp5014175
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Photo-Reaction Mechanism of the Hydrated Superoxide Anion: A Theoretical Study2014
- Author(s)
  H. Tachikawa and T. Fukuzumi
- Journal Title
  
  J. Solution Chem.
  
  Volume: 43 Pages: 1519-1528
- DOI
  10.1007/s10953-014-0167-2
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Origin of Spectrum Shifts of Benzophenone-Water Clusters: DFT Study2014
- Author(s)
  T. Iyama, H. Kawabata and H. Tachikawa
- Journal Title
  
  J. Solution Chem.
  
  Volume: 43 Pages: 1676-1686
- DOI
  10.1007/s10953-014-0228-6
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary, Battery: A Direct Ab Initio Molecular Dynamics (AIMD) Study2014
- Author(s)
  H. Tachikawa
- Journal Title
  
  Chem. Phys. Chem.
  
  Volume: 15 Pages: 1604-1610
- DOI
  10.1002/cphc.201301151
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Effect of hydrogenation on the band gap of graphene nano-flakes2014
- Author(s)
  H. Tachikawa, T. Iyama
- Journal Title
  
  Thin Solid Films
  
  Volume: 554 Pages: 148-153
- DOI
  10.1016/j.tsf.2013.08.020
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Quantum Tunneling Hydrogenation of Solid Benzene and Its Control via Surface Structure2014
- Author(s)
  T. Hama, H. Ueta, A. Kouchi, N. Watanabe, H. Tachikawa
- Journal Title
  
  Journal of Physical Chemistry Letters
  
  Volume: 5 Pages: 3843-3848
- DOI
  10.1021/jz5019948
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-14J07892, KAKENHI-PROJECT-24224012, KAKENHI-PROJECT-24550001, KAKENHI-ORGANIZER-25108001, KAKENHI-PLANNED-25108002, KAKENHI-PROJECT-25247086, KAKENHI-PROJECT-26410001
[Journal Article] Density functional theory study on the interaction of magnesium ions with graphene surface2014
- Author(s)
  K. Kato, T. Iyama, H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 53 Issue: 2S Pages: 02BD02-02BD02
- DOI
  10.7567/jjap.53.02bd02
- NAID
  210000143373
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Structures and electronic states of fluorinated grapheme2014
- Author(s)
  H. Tachikawa, T. Iyama
- Journal Title
  
  Solid State Sci.
  
  Volume: 28 Pages: 41-46
- DOI
  10.1016/j.solidstatesciences.2013.12.014
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Electron detachment dynamics of O2-(H2O): direct ab initio molecular dynamics (AIMD) approach2014
- Author(s)
  H. Tachikawa
- Journal Title
  
  RSC Adv.
  
  Volume: 4 Pages: 516-522
- DOI
  10.1039/c3ra45753b
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Effect of hydrogenation on the band gap of graphene nano-flakes2014
- Author(s)
  H. Tachikawa, T. Iyama, H. Kawabata
- Journal Title
  
  THIN SOLID FILMS
  
  Volume: 554 Pages: 199-203
- DOI
  10.1016/j.tsf.2013.08.108
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Molecular interactions with CO2 for controlling the regioselectivity of liquid phase hydrogenation of 2,4-dinitroaniline2014
- Author(s)
  H. Yoshida, A. Tomizawa, H. Tachikawa, S. Fujita and M. Arai
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 16 Pages: 18955-18965
- DOI
  10.1039/c4cp02114b
- NAID
  120005624077
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Photo-induced oxidation of polythiophene derivatives: Dependence on side chain structure2013
- Author(s)
  Y. Aoyama, T.Yamanari, N.Koumura, H.Tachikawa, M. Nagai,Y. Yoshida
- Journal Title
  
  POLYMER DEGRADATION AND STABILITY
  
  Volume: 98 Pages: 899-903
- DOI
  10.1016/j.polymdegradstab.2013.01.006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Ionization dynamics of the water trimer: A direct ab initio MD study2013
- Author(s)
  H. Tachikawa and T. Takada
- Journal Title
  
  Chem. Phys.
  
  Volume: 415 Pages: 76-83
- DOI
  10.1016/j.chemphys.2012.12.027
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Density Functional Theory (DFT) Study on Interaction of Carbon Free Radicals with Graphene Surface2013
- Author(s)
  T. Iyama, H. Tachikawa
- Journal Title
  
  Mol. Cryst. Liq. Cryst.
  
  Volume: 579 Pages: 10-16
- DOI
  10.1080/15421406.2013.804793
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Double pi-pi stacking dynamics of benzene trimer cation: direct ab initio molecular dynamics (AIMD) Study2013
- Author(s)
  H. Tachikawa
- Journal Title
  
  Theor. Chem. Acc.
  
  Volume: 132
- DOI
  10.1007/s00214-013-1374-4
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Interaction of Hydroxyl OH Radical with Graphene Surface: A Density Functional Theory Study2013
- Author(s)
  H. Tachikawa, T. Iyama, and H. Kawabata
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 52 Issue: 1S Pages: 01AH01-01AH01
- DOI
  10.7567/jjap.52.01ah01
- NAID
  210000141787
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PLANNED-25108004
[Journal Article] Hole capture dynamics of phenyl-capped thiophene: Direct ab-initio molecular dynamics study2012
- Author(s)
  H. Tachikawa and H. Kawabata
- Journal Title
  
  J. Organometal. Chem
  
  Volume: 720 Pages: 60-65
- DOI
  10.1016/j.jorganchem.2012.07.002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Density Functional Theory Study on Interaction of Hydroperoxyl Radical with Graphene Surface2012
- Author(s)
  T. Fukuzumi and H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 51 Pages: 10NE33-10NE33
- DOI
  10.1143/jjap.51.10ne33
- NAID
  210000141535
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Mechanism of the intramolecular hydrogen transfer reaction at ground and excited state of tert-butyl radical: An ESR and DFT study2012
- Author(s)
  T. Takada, H. Kawabata, and H. Tachikawa
- Journal Title
  
  J. Mol. Struct.
  
  Volume: 1020 Pages: 1-5
- DOI
  10.1016/j.molstruc.2012.04.005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] DFT study of 2-butyne-1,4-diol adsorption on Ni(111) or Ni(100) clusters2012
- Author(s)
  T. Sakamoto, H. Tachikawa, and K. Azumi
- Journal Title
  
  Appl. Surf. Sci.
  
  Volume: 258 Pages: 6785-6792
- DOI
  10.1016/j.apsusc.2012.03.069
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Internal Distribution of Micro-/Nano-sized Inorganic Particles and their Cytocompatibility2012
- Author(s)
  S.Abe, F.Watari, H.Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 51 Issue: 1 Pages: 01AH07-01AH07
- DOI
  10.1143/jjap.51.01ah07
- NAID
  210000140087
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21791929, KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947
[Journal Article] A Density Functional Theory Study on Interaction of Fluorinated Ethylene Carbonate with a Graphene Surface2012
- Author(s)
  S. Abe, F. Watari, and H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 51 Pages: 10NE34-10NE34
- DOI
  10.1143/jjap.51.10ne34
- NAID
  210000141536
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001, KAKENHI-PROJECT-24592947
[Journal Article] Direct ab initio molecular dynamics (MD) study of the ionization on a benzene dimer2012
- Author(s)
  H. Tachikawa
- Journal Title
  
  RSC Adv.
  
  Volume: 2 Pages: 6897-6904
- DOI
  10.1039/c2ra20246h
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Density Functional Theory (DFT) Study on the Addition of Hydroxyl Radical (OH) to C202012
- Author(s)
  T. Iyama, S. Abe and H. Tachikawa
- Journal Title
  
  Mol. Cryst. Liq. Cryst
  
  Volume: 567 Pages: 200-206
- DOI
  10.1080/15421406.2012.703808
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Electron Detachment Dynamics of Cu-(H2O)n (n=1-3): A Direct Ab-initio MD study.2012
- Author(s)
  H. Tachikawa
- Journal Title
  
  RSC Adv.
  
  Volume: 2 Pages: 12346-12354
- DOI
  10.1039/c2ra20907a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550001
[Journal Article] Diffusion of the Li+ ion on C60 : A DFT and Molecular Dynamics (MD) Study2011
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Phys. Chem. C.
  
  Volume: 115 Pages: 20406-20411
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ionization dynamics of a water dimer : specific reaction selectivity2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Chem.Chem.Phys
  
  Volume: 13 Pages: 11206-11212
- DOI
  10.1039/c0cp02861d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic states of hydrogen atom trapped in diamond lattice2011
- Author(s)
  H. Tachikawa
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 513 Pages: 94-98
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT study on the interaction of Fullerene (C60) with hydroxyl radical (OH)2011
- Author(s)
  H. Tachikawa, T. Iyama, S. Abe
- Journal Title
  
  Phys. Proc.
  
  Volume: 14 Pages: 139-142
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ab-initio theoretical calculations of the electronic excitation energies of small water clusters2011
- Author(s)
  H. Tachikawa, A. Yabushita and M. Kawasaki
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 13 Pages: 20745-20749
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct ab initio MD study on the hydrogen abstraction reaction of triplet state acetone from methanol molecule2011
- Author(s)
  H. Tachikawa, H. Kawabata
- Journal Title
  
  Theoret. Chem. Accounts
  
  Volume: 128 Pages: 207-213
- NAID
  120003660579
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study of the Interaction of Magnesium Ions with Graphene Chip2011
- Author(s)
  K. Kato, T. Iyama, H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50
- NAID
  210000138354
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Evaporation processes of water molecules from graphene edge : DFT and MD study2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Comput.Mater.Sci
  
  Volume: 50 Pages: 2640-2643
- DOI
  10.1016/j.commatsci.2011.04.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study on the Water Clusters on Graphene Chip2011
- Author(s)
  S. Abe, Y. Nagoya, F. Watari, H. Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50
- NAID
  210000138355
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Collision Induced Complex Formation following Electron capture of SO2-H2O Complex interacting with Argon Atoms2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Phys.Chem.A
  
  Volume: 115 Pages: 9091-9096
- DOI
  10.1021/jp202778t
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic states of hydrogen atom trapped in diamond lattice2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 513 Pages: 94-98
- DOI
  10.1016/j.cplett.2011.07.074
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Collision Induced Complex Formation following Electron capture of SO2-H2O Complex interacting with Argon Atoms2011
- Author(s)
  H. Tachikawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 115 Pages: 9091-9096
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ionization dynamics of aminopyridine dimer : a direct ab initio molecular dynamics (MD) study2011
- Author(s)
  H. Tachikawa, T. Fukuzumi
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 13 Pages: 5881-5887
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Evaporation processes of water molecules from graphene edge : DFT and MD study2011
- Author(s)
  S. Abe, Y. Nagoya, F. Watari, H. Tachikawa
- Journal Title
  
  Comput. Mater. Sci.
  
  Volume: 50 Pages: 2640-2643
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT study on the interaction of Fullerene (C60) with hydroxyl radical (OH)2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Proc.
  
  Volume: 14 Pages: 139-142
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ionization dynamics of aminopyridine dimer : a direct ab initio molecular dynamics (MD) study2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Chem.Chem.Phys
  
  Volume: 13 Pages: 5881-5887
- DOI
  10.1039/c0cp01542c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study of Boron- and Nitrogen-Atom-Doped Graphene Chips2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50 Pages: 01BJ03-01BJ03
- DOI
  10.1143/jjap.50.01bj03
- NAID
  210000138356
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Diffusion of the Li+ ion on C60 : A DFT and Molecular Dynamics (MD) Study2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Phys.Chem.C.
  
  Volume: 115 Pages: 20406-20411
- DOI
  10.1021/jp204608s
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study of Boron-and Nitrogen-Atom-Doped Graphene Chips2011
- Author(s)
  H. Tachikawa, T. Iyama, K. Azumi
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50
- NAID
  210000138356
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ab-initio theoretical calculations of the electronic excitation energies of small water clusters2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Chem.Chem.Phys
  
  Volume: 13 Pages: 20745-20749
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ground and Low-lying Excited Electronic States of Graphene Flakes : A Density Functional Theory (DFT) Study2011
- Author(s)
  H. Tachikawa, H. Kawabata
- Journal Title
  
  J. Phys. B.
  
  Volume: 44 Pages: 205105-205105
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ground and Low-lying Excited Electronic States of Graphene Flakes : A Density Functional Theory (DFT) Study2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Phys.B
  
  Volume: 44 Pages: 205-105
- DOI
  10.1088/0953-4075/44/20/205105
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] The Interaction Between Carbon Nanomaterials and Polypeptide : An in vitro and in silico Study2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Mol.Cryst.Liq.Cryst.
  
  Volume: 538 Pages: 258-264
- DOI
  10.1080/15421406.2011.564083
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT Study on the Interaction of Carbon Nano-Materials with Sodium Ion and Atom2011
- Author(s)
  T. Fukuzumi, H. Tachikawa, K. Azumi
- Journal Title
  
  Mol. Cryst. Liq. Cryst.
  
  Volume: 538 Pages: 61-66
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT Study on the Interaction of Carbon Nano-Materials with Sodium Ion and Atom2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Mol.Cryst.Liq.Cryst.
  
  Volume: 538 Pages: 61-66
- DOI
  10.1080/15421406.2011.563642
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ionization dynamics of a water dimer : specific reaction selectivity2011
- Author(s)
  H. Tachikawa
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 13 Pages: 11206-11212
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study of the Interaction of Magnesium Ions with Graphene Chip2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50 Pages: 01BJ01-01BJ01
- DOI
  10.1143/jjap.50.01bj01
- NAID
  210000138354
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Study on the Water Clusters on Graphene Chip2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 50 Pages: 01BJ02-01BJ02
- DOI
  10.1143/jjap.50.01bj02
- NAID
  210000138355
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct ab initio MD study on the hydrogen abstraction reaction of triplet state acetone from methanol molecule2011
- Author(s)
  H.Tachikawa
- Journal Title
  
  Theoret.Chem.Accounts
  
  Volume: 128 Pages: 207-213
- DOI
  10.1007/s00214-010-0822-7
- NAID
  120003660579
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene2010
- Author(s)
  Tachikawa H, Nagoya Y., Fukuzumi T.
- Journal Title
  
  J. POWER SOURCES
  
  Volume: 195 Pages: 6148-6152
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Structures and Electronic States of Water Molecules on Graphene Surface : A Density Functional Theory Study2010
- Author(s)
  Abe S, Nagoya Y, Watari F, Tachikawa H
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000068695
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electron Capture Dynamics of a Water Molecule Connected to a Cyclic Water Trimer : A Direct Ab Initio MD Approach2010
- Author(s)
  Tachikawa H
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 114 Pages: 10309-10314
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Interaction of Water Molecules with Graphene : A Density Functional Theory and Molecular Dynamics Study2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000067876
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Structures and Electronic States of Water Molecules on Graphene Surface : A Density Functional Theory Study2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000068695
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Method for Study of the Mechanism of C-H Bond Formation on Finite-Sized Graphene Surface2010
- Author(s)
  Tachikawa H, Iyama T
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000068694
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Effects of 2-buthyne-1, 4-diol additive on electrodeposited Ni films from a Watts-type bath2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  ELECTROCHIMICA ACTA
  
  Pages: 8570-8578
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Effects of Point Charges on the Excitation Energies of Protonated Schiff Base of Retinal2010
- Author(s)
  Iyama T, Kawabata H, Tachikawa H
- Journal Title
  
  Synth. React. Inorg., Met.-Org., Nano-Met. Chem.
  
  Volume: 40 Pages: 306-311
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Effects of Point Charges on the Excitation Energies of Protonated Schiff Base of Retinal2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  SYNTHESIS AND REACTIVITY IN INORGANIC METAL-ORGANIC AND NANO-METAL CHEMISTRY
  
  Volume: 40 Pages: 306-311
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer2010
- Author(s)
  Ohmori S, Kawabatay H, Tokunaga K, Tachikawa H
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000067841
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic state dependence of the ion-molecule reaction CH3CN++CH3CN→CH4CN++CH2CN : Threshold electron-secondary ion coincidence (TESICO) and direct ab-initio molecular dynamics Study2010
- Author(s)
  Tachikawa H., Fukuzumi, T., Koyano, I.
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 12 Pages: 15399-15405
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JOURNAL OF POWER SOURCES
  
  Volume: 195 Pages: 6148-6152
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory and Direct Molecular Dynamics Study of the Hydrogen Atom on a Finite-Sized Graphene2010
- Author(s)
  Tachikawa H, Iyama T, Kawabata H
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000067875
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct ab initio MD study on the interaction of hydroperoxy radic al (HOO) with water molecules2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  
  Volume: 12 Pages: 3904-3909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Intra-molecular Carrier Pathway Analysis in One-Dimensional Fused Furan Polymer2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000067841
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion2010
- Author(s)
  Tachikawa H, Iyama T, Kawabata H
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000067871
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory Method for Study of the Mechanism of C-H Bond Formation on Finite-Sized Graphene Surface2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000068694
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Density Functional Theory and Direct Molecular Dynamics Study of the Hydrogen Atom on a Finite-Sized Graphene2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000067875
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic state dependence of the ion-molecule reaction CH3CN++CH3CN->CH4CN++CH2CN : threshold electron-secondary ion coincidence (TESICO) and direct ab initio molecular dynamics study2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  
  Volume: 12 Pages: 15399-15405
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct Ab Initio MD Study on the Electron Capture Dynamics of Hydroperoxy Radical (HOO)-Water Complexes2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY A
  
  Volume: 114 Pages: 4951-4956
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JAPANESE JOURNAL OF APPLIED PHYSICS
  
  Volume: 49
- NAID
  210000067871
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Interaction of Water Molecules with Graphene : A Density Functional Theory and Molecular Dynamics Study2010
- Author(s)
  Abe S, Nagoya Y, Watari F, Tachikawa H
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 49
- NAID
  210000067876
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct ab initio MD study on the interaction of hydroperoxy radical (HOO) with water molecules2010
- Author(s)
  Tachikawa H, Abe S
- Journal Title
  
  Phys. Chem. Chem, Phys.
  
  Volume: 12 Pages: 3904-3909
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electron Capture Dynamics of a Water Molecule Connected to a Cyclic Water Trimer : A Direct Ab Initio MD Approach2010
- Author(s)
  H.Tachikawa
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY A
  
  Volume: 114 Pages: 10309-10314
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Direct Ab Initio MD Study on the Electron Capture Dynamics of Hydroperoxy Radical (HOO)-Water Complexes2010
- Author(s)
  Tachikawa H
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 114 Pages: 4951-4956
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Interaction of Lithium Ion (Li+) with Chlorinated Graphene (Cl-Graphene) Surface : A Direct Ab-Initio MD Study2009
- Author(s)
  H. Kawabata, T. Iyama, H. Tachikawa
- Journal Title
  
  Mol. Cryst. Liq. Cryst.
  
  Volume: 504 Pages: 147-154
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic States of Defect Sites of Graphene Model Compounds : A DFT and Direct Molecular Orbital-Molecular Dynamics Study2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Phys.Chem.C 113
  
  Pages: 7603-7609
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ab-Initio and MD Studies on the Interaction of Carbon Nano-Materials with Alkali Ion and Atom2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Mol.Crst.Liq.Crst 505
  
  Pages: 140-146
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT and direct MD study of the diffusion of sodium ion on graphenes2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Thin Sold Films 518
  
  Pages: 873-876
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] MD simulation of the interaction of magnesium with graphene2009
- Author(s)
  H. Tachikawa, T. Iyama, H. Kawabata
- Journal Title
  
  Thin Solid Films
  
  Volume: 518 Pages: 877-879
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gel2009
- Author(s)
  T. Takada, H. Tachikawa
- Journal Title
  
  J. Mol. Cat. A-Chemical
  
  Volume: 311 Pages: 54-60
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A direct ab initio molecular dynamics (MD) study on the benzophenone-water 1 : 1 complex2009
- Author(s)
  H. Tachikawa, T. Iyama, K. Kato
- Journal Title
  
  Phys. Chem. Chem, Phys.
  
  Volume: 11 Pages: 6008-6014
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A DFT and MD Study on the Interaction of Carbon Nano-Materials with Metal Ions2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Mol.Crst.Liq.Crst. 505
  
  Pages: 289-296
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Electronic States of Defect Sites of Graphene Model Compounds : A DFT and Direct Molecular Orbital-Molecular Dynamics Study2009
- Author(s)
  H. Tachikawa, H. Kawabata
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 113 Pages: 7603-7609
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Maximum capacity of the hydrogen storage in water clusters2009
- Author(s)
  H. Tachikawa, T. Iyama, H. Kawabata
- Journal Title
  
  Physics and Chemistry of Liquids
  
  Volume: 47(1) Pages: 103-109
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A direct ab initio molecular dynamics(MD)study on the benzophenonewater 1:1 complex2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Chem.Chem.Phys. 11
  
  Pages: 6008-6014
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A DFT and MD Study on the Interaction of Carbon Nano-Materials with Metal Ions2009
- Author(s)
  S. Abe, F. Watari, T. Takada, H. Tachikawa
- Journal Title
  
  Mol. Cryst. Liq. Cryst.
  
  Volume: 505 Pages: 289-296
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Maximum capacity of the hydrogen storage in water clusters2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Phys.Chem.Liquids 47
  
  Pages: 103-109
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Molecular design of high performance fused porphyrin one-dimensional wire : A DFT study2009
- Author(s)
  S. Ohmori, H. Kawabata, K. Tokunaga, H. Tachikawa
- Journal Title
  
  Thin Solid Films
  
  Volume: 518 Pages: 901-905
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] γ-Selective Cross-Coupling Reactions of Potassium Allyl-trifluoroborates with Haloarenes Catalyzed by a Pd(0)/D-t-BPF or Pd(0)/Josiphos ((R, S)-CyPF-t-Bu) Complex : Mechanistic Studies on Transmetalation and Enantioselection2009
- Author(s)
  Y. Yamamoto, S. Takada, N. Miyaura, T. Iyama, and H. Tachikawa
- Journal Title
  
  ORGANOMETALLICS
  
  Volume: 28 Pages: 152-160
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gel2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Mol.Catal.A. 311
  
  Pages: 54-60
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Molecular design of high performance fused porphyrin one-dimensional wire : A DFT study2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Thin Sold Films 518
  
  Pages: 901-905
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] SN2反応を実時間で見る!2009
- Author(s)
  田地川浩人
- Journal Title
  
  化学 64
  
  Pages: 62-63
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Maximum capacity of the hydrogen storage in water clusters2009
- Author(s)
  H. Tachikawa, T. Iyama, H. Kawabata
- Journal Title
  
  Phys. Chem. Liq.
  
  Volume: 47 Pages: 103-109
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Gamma-Selective Cross-Coupling Reactions of Potassium Allyltrifluoroborates with Haloarenes Catalyzed by a Pd(0)/D-t-BPF or Pd(0)/Josiphos((R, S)-CyPF-t-Bu)Complex : Mechanistic Studies on Transmetalation and Enantioselection2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  ORGANOMETALLICS 28
  
  Pages: 152-160
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Ab-Initio and MD Studies on the Interaction of Carbon Nano-Materials with Alkali Ion and Atom2009
- Author(s)
  T. Iyama, K. Kato, H. Kawabata, H. Tachikawa, and K Azumi
- Journal Title
  
  Mol. Cryst. Liq. Cryst.
  
  Volume: 504 Pages: 140-146
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] MD simulation of the interaction of magnesium with graphene2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Thin Sold Films 518
  
  Pages: 877-879
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A Density Functional Theory Study of Ground and Low-Lying Excited Electronic States in Defective Graphenes2009
- Author(s)
  H.Tachikawa, Y. Nagoya, H. Kawabata
- Journal Title
  
  J. Chem. Theor. Comput.
  
  Volume: 5 Pages: 2101-2107
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] DFT and direct MD study of the diffusion of sodium ion on graphenes2009
- Author(s)
  H. Tachikawa, H. Kawabata
- Journal Title
  
  Thin Solid Films
  
  Volume: 518 Pages: 873-876
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Interaction of Lithium Ion(Li+)with Chlorinated Graphene(Cl- Graphene)Surface : A Direct Ab-Initio MD Study2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  Mol.Crst.Liq.Crst. 505
  
  Pages: 147-154
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] A Density Functional Theory Study of Ground and Low-Lying Excited Electronic States in Defective Graphenes2009
- Author(s)
  H.Tachikawa
- Journal Title
  
  J.Chem.Theort.Comput. 5
  
  Pages: 2101-2107
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550002
[Journal Article] Structures and electronic states of permethyloligosilane radical ions with all-trans form Si_n(CH_3)_<2n+2>^+(n=2-6)2007
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Chem. Theor. Comput. 3
  
  Pages: 184-193
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Reaction dynamics following Electron capture of chlorofluorocarbon adsorbed on water cluster : A direct DFT-molecular dynamics study2007
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Chem. Phys. 126(In press)
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Electronic states of radical cations of all-trans oligo[methyl(phenyl)silane]2007
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Organometal. Chem. 692
  
  Pages: 1511-1518
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Electronic states of radical cations of all-trans oligo[methyl(phenyl)silane]2007
- Author(s)
  H.Tachikawa, H.Kawabata
- Journal Title
  
  J. Organometal. Chem. 692
  
  Pages: 1511-1518
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Electronic states of radical cations of all-trans oligo [methyl(phenyl)silane]2007
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Organometal. Chem. 692
  
  Pages: 1511-1518
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Molecular design of high performance fused heteroacene Radical cations : A DFT study2007
- Author(s)
  H.Kawabata, S.Ohmori, K.Matsushige, H.Tachikawa
- Journal Title
  
  Thin Solid Films (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Computer Aided-Molecular Design of High Performance Nano-Carbon Materials2007
- Author(s)
  T.Iyama, H.Kawabata, H.Tachikawa
- Journal Title
  
  Thin Solid Films (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and electronic states of permethyloligosilane radicalions with all-trans form Si_n(CH_3)_<2n+2>^+ (n=2-6)2007
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Chem. Theor. Comput. 3
  
  Pages: 184-193
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Reaction dynamics following Electron capture of chlorofluorocarbon adsorbed on water cluster : A direct DFT-molecular dynamics study2007
- Author(s)
  H.Tachikawa, S.Abe
- Journal Title
  
  J. Chem. Phys. (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] A DFT study on the structures and electronic states of zinc cluster Zn_n(n=2-32)2007
- Author(s)
  K.Iokibe, H.Tachikawa, K.Azumi
- Journal Title
  
  J. Phys. B 40
  
  Pages: 427-436
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and electronic states of permethyloligosilane radical ions with all-trans form Si_n(CH_3)_<2n+2>^+ (n=2-6) : A density functional theory study2007
- Author(s)
  H.Tachikawa, H.Kawabata
- Journal Title
  
  J. Chem. Theor. Comput. 3
  
  Pages: 184-193
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and Cis-to-Trans Photoisomerization of Hexafluoro-1,3-butadiene Radical Cation : Electron Spin Resonance (ESR) and Computational Studies2007
- Author(s)
  H-Y.Xiao, J.Cao, Y.Liu, W-H.Fang, H.Tachikawa M.Shiotani
- Journal Title
  
  J. Phys. Chem. A (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Spectral Shifts of Ozone Molecule by the Complex Formation with a Water Molecule2006
- Author(s)
  H.Tachikawa, S.Abe
- Journal Title
  
  Chem. Phys. Lett. 432
  
  Pages: 409-413
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Diffusion Dynamics of the Li Atom on Amorphous Carbon : A Direct Molecular Orbital-Molecular Dynamics Study2006
- Author(s)
  H.Tachikawa, A.Shimizu
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 20445-20450
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct ab initio molecular dynamics study on a microsolvated S_N2 reaction of OH^-(H_2O) with CH_3Cl2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 133119-133129
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] The Electron Hydration Dynamics in Water Clusters : A direct ab-initio MD Approach2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 144307-144315
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.A 110
  
  Pages: 153-159
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006
- Author(s)
  H.Tachikawa
- Journal Title
  
  J. Phys. Chem. A 110
  
  Pages: 153-159
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Intramolecular S_N2 Reaction Caused by Photoionization of Benzene Chloride-NH_3 Complex : Direct ab Initio Molecular Dynamics Study2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Phys. Chem. A 110
  
  Pages: 153-159
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states2006
- Author(s)
  H.Tachikawa, H.Kawabata
- Journal Title
  
  J. Organometal. Chem. 691
  
  Pages: 4843-4849
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct ab-initio Molecular Dynamics Study on a S_N2 Reaction OH^- + CH_3Cl→CH_3OH+Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Chem. Phys. 324
  
  Pages: 639-646
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Spectral Shifts of Ozone Molecule by the Complex Formation with a Water Molecule2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Chem. Phys. Lett. 432
  
  Pages: 409-413
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct ab-initio Molecular Dynamics Study on a S_n2 Reaction OH^-+CH_3Cl→CH_3OH+Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006
- Author(s)
  H.Tachikawa, M.Igarashi
- Journal Title
  
  Chem. Phys. 324
  
  Pages: 639-646
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Na(H_2O) dynamics following electron detachment from Na^-(H_2O) anion2006
- Author(s)
  S.Kondo, K.Hashimoto, H.Tachikawa
- Journal Title
  
  Chem. Phys. Lett. 431
  
  Pages: 45-50
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct observation and reactions of Cl_3radical2006
- Author(s)
  S.Enami, T.Yamanaka, S.Hashimoto, M.Kawasaki, S.Aloisio, H.Tachikawa
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 133116-133122
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Diffusion Dynamics of the Li Atom on Amorphous Carbon : A Direct Molecular Orbital- Molecular Dynamics Study2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 20445-20450
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Electronic structures of permethyloligosilane radical cations at the ground and low-lying excited states2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Organometal. Chem. 691
  
  Pages: 4843-4849
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] The electronic structures of all trans form of permethyl-oligosilane radical cation with longer chain : A density functional theory study2006
- Author(s)
  H.Kawabata, S.Ohmori, K.Matsushige, H.Tachikawa
- Journal Title
  
  J. Organometal. Chem. 691
  
  Pages: 5525-5530
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct ab initio molecular dynamics study on a microsolvated S_N2 reaction of OH (H_2O) with CH-_3Cl2006
- Author(s)
  H.Tachikawa
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 133119-133129
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Direct ab-initio Molecular Dynamics Study on a S_N2 Reaction OH^- + CH_3Cl → CH_3OH + Cl^- : Effect of non-zero impact parameter on the reaction dynamics2006
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Chem. Phys. 324
  
  Pages: 639-646
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] 1,4-Addition of arylboronic acids to beta-aryl- alpha, beta-unsaturated ketones and esters catalyzed by a rhodium(I)-chiraphos complex for catalytic and enantioselective synthesis of selective endothelin-A receptor antagonists2006
- Author(s)
  T.Itoh, T.Mase, T.Nishikata, T.Iyama, H.Tachikawa, Y.Kobayashi, Y.Yarnamoto, N.Miyaura
- Journal Title
  
  Tetrahedron 62
  
  Pages: 9610-9621
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] The Electron Hydration Dynamics in Water Clusters : A direct ab-initio MD Approach2006
- Author(s)
  H.Tachikawa
- Journal Title
  
  J. Chem. Phys. 125
  
  Pages: 144307-144315
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Photochem. Photobiol. B : Biol. 79
  
  Pages: 11-23
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005
- Author(s)
  H.Tachikawa, H.Kawabata
- Journal Title
  
  J. Photochem. Photobiol. B : Biol. 79
  
  Pages: 191-195
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005
- Author(s)
  H.Tachikawa, T.Iyama
- Journal Title
  
  Int. J. Quant. Chem. 102
  
  Pages: 230-238
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Hybrid DFT Study of the Hyperfine Coupling Constants of Methyl Radicals in Model Matrix Lattices2005
- Author(s)
  T.Takada, H.Tachikawa
- Journal Title
  
  Int. J. Quant. Chem. 105
  
  Pages: 79-83
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] TD-DFT calculations of the potential energy curves for the trans-cis photo-isomerization of protonated Schiff base of retinal2005
- Author(s)
  Hiroto TACHIKAWA, Teshuji IYAMA
- Journal Title
  
  J.Photochem.Photobiol.B 76
  
  Pages: 55-60
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n(n=1-4)2005
- Author(s)
  Hiroto TACHIKAWA, Shigeaki Abe
- Journal Title
  
  Inorg.Chim.Acta 358
  
  Pages: 288-294
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Study on Voltage Output Mechanism of Cable Sensor for Vibration Detection2005
- Author(s)
  F.Ito, Dauren F.Akhmetov, M.Komazaki, H.Tachikawa, M.Ujihira, K.Ohara, Y.Kawamura
- Journal Title
  
  T. SICE 41
  
  Pages: 715-723
- NAID
  130003791987
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Phys. Chem. B 109
  
  Pages: 3139-3145
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Experimental and Theoretical Studies on the Organic-Inorganic Hybrid Compound : Aluminum-NTCDA Co-Deposited Film2005
- Author(s)
  H.Tachikawa, H.Kawabata, M.Yokoyama
- Journal Title
  
  J. Phys. Chem. B 109
  
  Pages: 3139-3145
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.B 109
  
  Pages: 3139-3145
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Mol. Struct. (THEOCHEM) 718
  
  Pages: 117-122
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005
- Author(s)
  H.Tachikawa, H.Kawabata
- Journal Title
  
  Jpn. J. Appl. Phys. 44
  
  Pages: 3769-3773
- NAID
  10016440833
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Photochem. Photobiol. B : Biol. 79
  
  Pages: 191-195
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.B 109(8)
  
  Pages: 3139-3145
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Can. J. Chem. 83
  
  Pages: 1597-1605
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n (n=1-4)2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Inorg.Chim.Acta 358(2)
  
  Pages: 288-294
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n (n= 1-4)2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Inorg. Chim. Acta 358
  
  Pages: 288-294
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005
- Author(s)
  H.Tachikawa, M.Igarashi, J.Nishihira, T.Ishibashi
- Journal Title
  
  J. Photochem. Photobiol. B : Bio1 79
  
  Pages: 11-23
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Jpn.J.Appl.Phys. 44
  
  Pages: 3769-3773
- NAID
  10016440833
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Mol.Struc (THEOCHEM) 718(1)
  
  Pages: 117-122
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Organometal.Chem. 690
  
  Pages: 2895-2904
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Ab initio model study on acetylcholinesterase catalysis : Potential Energy Surfaces of the Proton Transfer Reactions2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Photochem.Photobiol.B : Biol. 79
  
  Pages: 11-23
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Int. J. Quant. Chem. 102
  
  Pages: 230-238
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] DFT and Direct Ab Initio MD Calculations of the Gas Hydrate : Hydrogen Molecule Trapped in Water Cluster (H_2O)_<12>2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Int.J.Quant.Chem., 102
  
  Pages: 230-238
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorphous Carbon : A Direct Molecular Orbital Dynamics Study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.B 109
  
  Pages: 13255-13262
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005
- Author(s)
  Hiroto TACHIKAWA, Teshuji IYAMA
- Journal Title
  
  J.Mol.Struc (THEOCHEM) 718
  
  Pages: 117-122
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Hybrid DFT Study of the Hyperfine Coupling Constants of Methyl Radicals in Model Matrix Lattices2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Int. J. Quant. Chem. 105
  
  Pages: 79-83
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] H6^+ in irradiated solid para-hydrogen and its decay dynamics : Reinvestigation of quartet electron paramagnetic resonance lines assigned to H_2^-2005
- Author(s)
  T.Kumada, H.Tachikawa, T.Takayanagi
- Journal Title
  
  Phys. Chem. Chem. Phys. 7
  
  Pages: 776-784
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and excitation energies of ozone-water clusters O3(H2O)n (n=1-4)2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Inorg.Chim.Acta 358
  
  Pages: 288-294
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005
- Author(s)
  H.Tachikawa, H.Kawabata, K.Ishida, K.Matsushige
- Journal Title
  
  J. Organometal. Chem. 690
  
  Pages: 2895-2904
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Can.J.Chem. 83
  
  Pages: 1597-1605
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] A DFT and direct MO dynamics Study on the structures and electronic states of phenyl-capped terthiophene2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Organometal. Chem. 690
  
  Pages: 2895-2904
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorp hous Carbon : A Direct Molecular Orbital Dynamics Study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J. Phys. Chem. B 109
  
  Pages: 13255-13262
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Experimental and theoretical studies on the organic inorganic hybrid compound : Aluminum-NTCDA co-deposited film2005
- Author(s)
  Hiroto TACHIKAWA, Hiroshi Kawabata
- Journal Title
  
  J.Phys.Chem.B 109
  
  Pages: 3139-3145
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] S_N2 and S_N2' reaction dynamics of cyclopropenyl chloride with halide ion : A direct ab initio molecular dynamics (MD) study2005
- Author(s)
  H.Tachikawa
- Journal Title
  
  Can. J. Chem. 83
  
  Pages: 1597-1605
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Structures and excitation energies of ozone-water clusters O_3(H_2O)_n(n=1-4)2005
- Author(s)
  H.Tachikawa, S.Abe
- Journal Title
  
  Inorg.Chim.Acta 358
  
  Pages: 288-294
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005
- Author(s)
  H.Tachikawa, T.Iyama, H.Kawabata
- Journal Title
  
  J. Mol. Struct. (THEOCHEM) 718
  
  Pages: 117-122
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Effects of the residues on the excitation energies of protonated Schiff base of retinal (PSBR) in bR : A TD-DFT study2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Photochem.Photobiol.B : Biol. 79
  
  Pages: 191-195
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Diffusion Dynamics of the Li^+ Ion on a Model Surface of Amorphous Carbon : A Direct Molecular Orbital Dynamics Study2005
- Author(s)
  H.Tachikawa, A.Shimizu
- Journal Title
  
  J. Phys. Chem. B 109
  
  Pages: 13255-13262
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Potential energy curves along the diffusion paths of NO on the small-sized Cu(100) model cluster2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Mol.Struct.(THEOCHEM) 718
  
  Pages: 117-122
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Hybrid Density Functional Theory (DFT) study on Electronic States of Halogen-Substituted Organic-Inorganic Hybrid Compounds : Al-NTCDA2005
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Jpn. J. Appl. Phys. 44
  
  Pages: 3769-3773
- NAID
  10016440833
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550001
[Journal Article] Ionization dynamics of the small-sized water clusters : A direct ab initio trajectory study2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.A 108(39)
  
  Pages: 7853-7862
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] A hybrid DFT study on the mechanism of the electron conductivity of molecular devices composed of metal and carbonyl compounds2004
- Author(s)
  Hiroto TACHIKAWA, Hiroshi Kawabata
- Journal Title
  
  Molecular Simulation 30
  
  Pages: 923-928
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] TD-DFT calculations of the potential energy curves for the trans-cis photo-isomerization of protonated Schiff base of retinal2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Photochem.Photobiol.B 76(1-3)
  
  Pages: 55-60
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ionization dynamics of the small-sized water clusters : A direct ab initio trajectory study2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.A 108
  
  Pages: 7853-7862
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] A hybrid DFT study on the mechanism of the electron conductivity of molecular devices composed of metal and carbonyl compounds2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  Molecular Simulation 30(13)
  
  Pages: 923-928
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ionization dynamics of the small-sized water clusters : A direct abinitio trajectory study2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Phys.Chem.A 108(39)
  
  Pages: 7853-7862
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] TD-DFT calculations of the potential energy curves for the trans-cisphoto-isomerization of protonated Schiff base of retinal2004
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  J.Photochem.Photobiol.B 76(1-3)
  
  Pages: 55-60
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ozone-water 1:1 complexes O_3-H_2O : An Ab initio study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  INORGANIC CHEMISTRY 42
  
  Pages: 2188-2190
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Electron capture dynamics of the water dimer : a direct ab-initio dynamics study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  CHEMICAL PHYSICS LETTERS 370
  
  Pages: 118-196
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Electron capture dynamics of the water dimer : a direct ab initio dynamics study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  CHEMICAL PHYSICS LETTERS 370
  
  Pages: 118-196
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Decomposition dynamics of interstellar HCNH : Ab-initio MO and RRKM studies2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  ASTRONOMY & ASTROPHYSICS 397
  
  Pages: 1-6
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ionization dynamics of trans-formanilide-H_2O complexes : A direct ab initio dynamics study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY A 107
  
  Pages: 7505-7513
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ionization dynamics of trans-formanilide-H_2O complexes : A direct ab initio dynamics study2003
- Author(s)
  Hiroto TACHIKAWA, Manabu IGARASHI
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY A 107
  
  Pages: 7505-7513
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ozone-water 1:1 complexes O_3-H_2O : An Ab initio study2003
- Author(s)
  Hiroto TACHIKAWA, Shigeaki Abe
- Journal Title
  
  INORGANIC CHEMISTRY 42
  
  Pages: 2188-2190
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Dynamics of the hole-capture processes in biphenyl and poly (4-vinyl-biphenyl) : A direct ab initio trajectory study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY B 107
  
  Pages: 1113-1119
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Dynamics of the hole-capture processes in biphenyl and poly(4-vinyl-biphenyl) : A direct ab initio trajectory study2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  JOURNAL OF PHYSICAL CHEMISTRY B 107
  
  Pages: 1113-1119
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Decomposition dynamics of interstellar HCNH : Ab-initio MO and RRKM studies2003
- Author(s)
  Hiroto TACHIKAWA, Takayuki Fukuzumi, Teshuji IYAMA
- Journal Title
  
  ASTRONOMY & ASTROPHYSICS 397
  
  Pages: 1-6
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C=O carbonyl compounds2003
- Author(s)
  Hiroto TACHIKAWA
- Journal Title
  
  JOURNAL OF MATERIALS CHEMISTRY 13
  
  Pages: 1293-1297
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Journal Article] Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C=O carbonyl compounds2003
- Author(s)
  Hiroto TACHIKAWA, Hiroshi Kawabata
- Journal Title
  
  JOURNAL OF MATERIALS CHEMISTRY 13
  
  Pages: 1293-1297
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Patent] 演算監視プログラム2003
- Inventor(s)
  田地川浩人
- Industrial Property Rights Holder
  関西TLO
- Industrial Property Number
  2003-091605
- Filing Date
  2003-03-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-15550001
[Presentation] Mechanism of Hydrogen Storage in the Graphene Nanoflake-Lithium-H2 System2020
- Author(s)
  Hiroto Tachikawa, Tetsuji Iyama
- Organizer
  ISPlasma 2020 & IC-PLANTS 2020
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Mechanism of Adsorption/Desorption of H2 to the Graphene Surface2020
- Author(s)
  Hiroshi Kawabata, Tetsuji Iyama, Hiroto Tachikawa
- Organizer
  ISPlasma 2020 & IC-PLANTS 2020
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] ホール捕捉によって誘起されるパイスタッキング・ジャンクションの理論設計2020
- Author(s)
  井浦亮周,　田地川浩人
- Organizer
  化学系学協会北海道支部2020年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] カーボンナノチューブ上のリチウムの拡散メカニズム：密度汎関数計算2020
- Author(s)
  川畑弘,　田地川浩人
- Organizer
  化学系学協会北海道支部2020年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] フッ素化グラフェンナノフレークによる水素貯蔵機構の理論解明2020
- Author(s)
  井山哲二,　田地川浩人
- Organizer
  化学系学協会北海道支部2020年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Density Functional Theory (DFT) Study on the Interaction of H2 with Lithium Doped Graphene Surface2019
- Author(s)
  Hiroto Tachikawa, Tetsuji Iyama
- Organizer
  ISPlasma 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] リチウム-グラフェン系による水素貯蔵メカニズムの理論解明2019
- Author(s)
  井山哲二,　川畑弘,　田地川浩人
- Organizer
  第33回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] DNA塩基のプロトン移動を利用した実時間スイッチング素子の理論設計2019
- Author(s)
  川畑弘,　田地川浩人
- Organizer
  化学系学協会北海道支部2019年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] ベンゼンクラスターのホール捕捉によって誘起されるパイスタッキング・ダイ2019
- Author(s)
  井浦亮周,　田地川浩人
- Organizer
  化学系学協会北海道支部2019年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] ホール捕捉によって誘起されるパイスタッキングへのヘテロ原子の効果2019
- Author(s)
  井浦亮周,　田地川浩人,　安住和久
- Organizer
  第9回CSJ化学フェスタ2019
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] リチウムをドープしたグラフェン・ナノフレークの水素貯蔵メカニズム・理論的アプローチ2019
- Author(s)
  井山哲二,　田地川浩人
- Organizer
  化学系学協会北海道支部2019年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] C-S-H モデル分子とNa+イオン-水との相互作用の量子化学計算2019
- Author(s)
  田地川浩人,山田一夫
- Organizer
  セメント技術大会
- Data Source
  KAKENHI-PROJECT-17H03292
[Presentation] Density Functional Theory (DFT) Study on the Mechanism of Adsorption/Desorption of H2 to the Graphene Surface2019
- Author(s)
  Tetsuji Iyama, Hiroshi Kawabata, Hiroto Tachikawa
- Organizer
  ISPlasma 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] 宇宙氷表面に吸着した分子ダイマーの光イオン化ダイナミクス：ダイレクト・アプイニシオＭＤ法によるアプローチ2019
- Author(s)
  福澄孝博,　田地川浩人
- Organizer
  化学系学協会北海道支部2019年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] C-S-H モデル分子と Na+イオン-水との相互作用の量子化学計算2019
- Author(s)
  山田一夫、田地川浩人
- Organizer
  セメント技術大会
- Data Source
  KAKENHI-PROJECT-17H03292
[Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2018
- Author(s)
  Hiroto Tachikawa, Tetsuji Iyama
- Organizer
  ISPlasma 2018 & IC-PLANTS 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Electronic States of Hydrogen Added Carbon Materials: Density Functional Theory (DFT) Study2018
- Author(s)
  Tetsuji Iyama, Takahiro Fukuzumi, Hiroshi Kawabata, Hiroto Tachikawa
- Organizer
  ISPlasma 2018 & IC-PLANTS 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェンによる水素貯蔵メカニズムの理論解明2018
- Author(s)
  井山哲二, 加藤晃一, 田地川浩人
- Organizer
  化学系学協会北海道支部2018年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン表面へ吸着した金属による水素貯蔵機構の理論解明2018
- Author(s)
  井山哲二,　田地川浩人
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] 氷表面が反応速度を加速する化学反応の理論研究2018
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  化学系学協会北海道支部2018年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン－金属超錯体の水素貯蔵メカニズム：理論的アプローチ2018
- Author(s)
  加藤晃一, 井山哲二, 田地川浩人
- Organizer
  化学系学協会北海道支部2018年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] ホール捕捉によって誘起されるパイスタッキングの機構解明2018
- Author(s)
  井浦亮周,　田地川浩人,　安住和久
- Organizer
  第8回CSJ化学フェスタ2018
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] グラフェン-リチウム-水素の相互作用に関する理論的研究2018
- Author(s)
  井山哲二, 川畑弘, 田地川浩人
- Organizer
  第25回クロマトグラフィーシンポジウム
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Molecular Design of High-performance π-Stacking Materials2018
- Author(s)
  Ryoshu Iura, Hiroto Tachikawa
- Organizer
  International Microprocesses and Nanotechnology Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Theoretical Study on Adsorption/Desorption of Hydrogen Molecule to the Surface of Graphene Nanoflakes2018
- Author(s)
  Hiroshi Kawabata, Hiroto Tachikawa
- Organizer
  International Microprocesses and Nanotechnology Conference
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] 宇宙空間の氷表面に吸着した分子の光イオン化ダイナミクス：ダイレクト・アブイニシオMD法によるアプローチ2018
- Author(s)
  福澄孝博,　田地川浩人
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2018
- Author(s)
  Tetsuji Iyama, Hiroto Tachikawa
- Organizer
  ISPlasma 2018 & IC-PLANTS 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] Electronic States of Hydrogen Added Carbon Materials: Density Functional Theory (DFT) Study2018
- Author(s)
  Tetsuji Iyama, Takahiro Fukuzumi, Hiroshi Kawabata, Hiroto Tachikawa
- Organizer
  ISPlasma 2018 & IC-PLANTS 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] グラフェン表面のリチウム原子（またはフッ素原子）への水素吸着に関する理論的研究2018
- Author(s)
  井山哲二, 川畑弘, 田地川浩人
- Organizer
  第41回フッ素化学討論会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] DNA塩基のプロトン移動を利用したスイッチング素子の理論設計：ダイレクト・アブイニシオMD法によるアプローチ2018
- Author(s)
  川畑弘,　田地川浩人
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K05021
[Presentation] 最小フラーレンC20とアルカリ金属の反応性2017
- Author(s)
  川畑弘、田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] A DFT Study on oligosilane-functionalized nanocarbon materials2017
- Author(s)
  Yuko Era, Shigeaki Abe, Mariko Nakamura, Yasuhiro Yoshida, and Hiroto Tachikawa
- Organizer
  IWUMD-2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 紫外線によるDNA損傷の理論的研究2017
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  日本ケミカルバイオロジー学会第12回年会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェンーリチウム系による水素貯蔵メカニズムの理論解明2017
- Author(s)
  井山哲二，加藤晃一，田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 紫外線によるDNA損傷の理論的研究2017
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  第41回有機電子移動化学討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェンーリチウム系による水素貯蔵メカニズムの理論解明2017
- Author(s)
  井山哲二、加藤晃一、田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Interaction of Hydrogen Atom with Carbon Materials: Density Functional Theory (DFT) Study2017
- Author(s)
  Tetsuji Iyama, Takahiro Fukuzumi, Hiroto Tachikawa
- Organizer
  IWUMD-2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 最小フラーレンC20とアルカリ金属の反応性2017
- Author(s)
  川畑弘, 田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン表面の金属(イオン)の電子状態と動的挙動2017
- Author(s)
  加藤晃一, 井山哲二, 田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 水クラスターのイオン化反応ダイナミクス：プロトン移動速度と星間分子反応への適用2017
- Author(s)
  福澄孝博，田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Computer Aided Molecular Design of Functionalized Fullerenes and Graphenes2017
- Author(s)
  Hiroto Tachikawa, Tetsuji Iyama, and Hiroshi Kawabata
- Organizer
  EM-NANO 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] DFT Study on the Radical-Functionalized Graphenes and Fullerenes2017
- Author(s)
  Shigeaki Abe, Yuko Era, Yukari Nakagawa, Hiroto Tachikawa
- Organizer
  EM-NANO 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] リチウム-グラフェン系による水素貯蔵メカニズムの理論解明2017
- Author(s)
  田地川浩人, 井山哲二, 福澄孝博
- Organizer
  第31回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 宇宙空間の氷表面に吸着した分子の光イオン化ダイナミクス：ダイレクト・アブイニシオMD法によるアプローチ2017
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン表面の金属原子（イオン）の電子状態と動的挙動2017
- Author(s)
  加藤晃一、井山哲二、田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン表面の金属原子（イオン）の電子状態と動的挙動2017
- Author(s)
  加藤晃一，井山哲二，田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] DNA損傷チミンダイマーの修復反応機構の理論解明2017
- Author(s)
  川畑弘, 田地川浩人
- Organizer
  日本ケミカルバイオロジー学会第12回年会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 電子捕捉後のチミンダイマーの反応ダイナミクス2017
- Author(s)
  川畑弘, 田地川浩人
- Organizer
  第41回有機電子移動化学討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Interaction of H2 with Metal Atoms on Graphene Surface: Density Functional Theory (DFT) Study2017
- Author(s)
  Hiroto Tachikawa, and Tetsuji Iyama
- Organizer
  IWUMD 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン－リチウム系による水素貯蔵メカニズムの理論解明2017
- Author(s)
  井山哲二, 加藤晃一, 田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 最小フラーレンC20とアルカリ金属の反応性2017
- Author(s)
  川畑弘，田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 水クラスターのイオン化反応ダイナミクス：プロトン移動速度と星間反応2017
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス：ダイレクト・アブイニシオMD法によるアプローチ2017
- Author(s)
  川畑弘, 田地川浩人
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] 水クラスターのイオン化反応ダイナミクス：プロトン移動速度と星間分子反応への適用2017
- Author(s)
  福澄孝博、田地川浩人
- Organizer
  化学系学協会北海道支部2017年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2017-01-17
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on the Interaction of H2 with Metal Atoms on Graphene Surface2017
- Author(s)
  Tetsuji Iyama, Takahiro Fukuzumi, Hiroto Tachikawa
- Organizer
  EM-NANO 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] グラフェン表面へ吸着したリチウムによる水素貯蔵メカニズムの理論2017
- Author(s)
  井山哲二, 田地川浩人
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] DFT Study on the Interaction of Hydrogen Atom with Graphene Nano-Flakes2017
- Author(s)
  Hiroshi Kawabata, Tetsuji Iyama, Hiroto Tachikawa
- Organizer
  EM-NANO 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Computer Aided-Molecular Design of Organic Radical-Functionalized Graphene: Density Functional Theory (DFT) Study2016
- Author(s)
  T. Iyama, H. Kawabata, and H.Tachikawa
- Organizer
  29th International Microprocesses and Nanotechnology Conference(MNC 2016)
- Place of Presentation
  ANAクラウンプラザホテル（京都市）
- Year and Date
  2016-11-08
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on the Interaction of Hydrogen Atom with Carbon Materialss2016
- Author(s)
  H. Tachikawa and T. Iyama
- Organizer
  12th International Conference on Nano and Micro Electronics(ICNME 2016)
- Place of Presentation
  神戸国際会議場（神戸市）
- Year and Date
  2016-12-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on the Radical-Functionalized Graphenes and Fullerenes2016
- Author(s)
  H. Kawabata, T. Iyama, and H. Tachikawa
- Organizer
  12th International Conference on Nano and Micro Electronics(ICNME 2016)
- Place of Presentation
  神戸国際会議場（神戸市）
- Year and Date
  2016-12-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes2016
- Author(s)
  H. Tachikawa, T. Iyama and H. Kawabata
- Organizer
  Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
- Place of Presentation
  札幌コンベンションセンター（札幌市）
- Year and Date
  2016-10-10
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Electronic Device of the C20-M system (M = Li, Na, K)2016
- Author(s)
  H. Kawabata and H. Tachikawa
- Organizer
  Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
- Place of Presentation
  札幌コンベンションセンター（札幌市）
- Year and Date
  2016-10-10
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Functionalized Fullerenes and Graphene2016
- Author(s)
  H. Tachikawa and T. Iyama
- Organizer
  KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
- Place of Presentation
  アクロス福岡国際会議場（福岡市）
- Year and Date
  2016-09-04
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Electronic States of Organic Radical-Functionalized Graphenes and Fullerenes: Density Functional Theory (DFT) Study2016
- Author(s)
  T.Iyama, H. Kawabata, T. Fukuzumi and H. Tachikawa
- Organizer
  Compound Semiconductor Week 2016(CSW 2016)
- Place of Presentation
  富山国際会議場（富山市）
- Year and Date
  2016-06-26
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Radical-Functionalized Fullerene and Carbon Nanotubes (CNT): A DFT Study2016
- Author(s)
  H. Tachikawa, T. Iyama, and H. Kawabata
- Organizer
  29th International Microprocesses and Nanotechnology Conference(MNC 2016)
- Place of Presentation
  ANAクラウンプラザホテル（京都市）
- Year and Date
  2016-11-08
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Computer Aided-Molecular Design of Organic Radical-Functionalized Graphene: Density Functional Theory (DFT) Study2016
- Author(s)
  T. Iyama, H. Kawabata, and H.Tachikawa
- Organizer
  9th International Microprocesses and Nanotechnology Conference(MNC 2016
- Place of Presentation
  ANAクラウンプラザホテル（京都市）
- Year and Date
  2016-11-08
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Density Functional Theory (DFT) Study on the Interaction of Hydrogen Atom with Carbon Materialss2016
- Author(s)
  H. Tachikawa and T. Iyama
- Organizer
  12th International Conference on Nano and Micro Electronics(ICNME 2016)
- Place of Presentation
  神戸国際会議場（神戸市）
- Year and Date
  2016-12-14
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Density Functional Theory (DFT) Study on Electronic States of Organic Radical-Functionalized Graphene and Fullerene2016
- Author(s)
  T. Iyama, H. Kawabata, and H. Tachikawa
- Organizer
  KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
- Place of Presentation
  アクロス福岡国際会議場（福岡市）
- Year and Date
  2016-09-04
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Electronic States of Alkyl Radical Functionalized Fullerene (R-C60): Density Functional Theory (DFT) Study2016
- Author(s)
  S. Abe and H. Tachikawa
- Organizer
  ISPlasma/IC-PLANTS2016
- Place of Presentation
  名古屋大学（名古屋市）
- Year and Date
  2016-03-06
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on Electronic States of Organic Radical-Functionalized Graphene and Fullerene2016
- Author(s)
  T. Iyama, H. Kawabata and H. Tachikawa
- Organizer
  KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
- Place of Presentation
  アクロス福岡国際会議場（福岡市）
- Year and Date
  2016-09-04
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2016
- Author(s)
  H. Tachikawa, T. Iyama, and H. Kawabata
- Organizer
  Compound Semiconductor Week 2016(CSW 2016)
- Place of Presentation
  富山国際会議場（富山市）
- Year and Date
  2016-06-26
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Molecular Design of Electronic Device of the C20-M system (M = Li, Na, K)2016
- Author(s)
  H. Kawabata and H. Tachikawa
- Organizer
  Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
- Place of Presentation
  札幌コンベンションセンター（札幌市）
- Year and Date
  2016-10-10
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Electronic States of Alkyl Radical Functionalized Fullerene (R-C60): Density Functional Theory (DFT) Study2016
- Author(s)
  S. Abe and H. Tachikawa
- Organizer
  ISPlasma/IC-PLANTS2016
- Place of Presentation
  名古屋大学（名古屋市）
- Year and Date
  2016-03-06
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes2016
- Author(s)
  H. Tachikawa, T. Iyama, and H. Kawabata
- Organizer
  Asian Conference on Nanoscience & Nanotechnology(AsiaNANO 2016)
- Place of Presentation
  札幌コンベンションセンター（札幌市）
- Year and Date
  2016-10-10
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Molecular Design of Radical-Functionalized Fullerene and Carbon Nanotubes (CNT): A DFT Study2016
- Author(s)
  H. Tachikawa, T. Iyama and H. Kawabata
- Organizer
  9th International Microprocesses and Nanotechnology Conference(MNC 2016
- Place of Presentation
  ANAクラウンプラザホテル（京都市）
- Year and Date
  2016-11-08
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Electronic States of Organic Radical-Functionalized Graphenes and Fullerenes: Density Functional Theory (DFT) Study2016
- Author(s)
  T.Iyama, H. Kawabata, T. Fukuzumi, and H. Tachikawa
- Organizer
  Compound Semiconductor Week 2016(CSW 2016)
- Place of Presentation
  富山国際会議場（富山市）
- Year and Date
  2016-06-26
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on the Radical-Functionalized Graphenes and Fullerenes2016
- Author(s)
  H. Kawabata, T. Iyama and H. Tachikawa
- Organizer
  12th International Conference on Nano and Micro Electronics(ICNME 2016)
- Place of Presentation
  神戸国際会議場（神戸市）
- Year and Date
  2016-12-14
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2016
- Author(s)
  H. Tachikawa, T. Iyama and H. Kawabata
- Organizer
  Compound Semiconductor Week 2016(CSW 2016)
- Place of Presentation
  富山国際会議場（富山市）
- Year and Date
  2016-06-26
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 星間分子PAHsと水素原子との反応メカニズム2016
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  化学系学協会北海道支部2016年冬季研究発表会
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2016-01-19
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Molecular Design of Functionalized Fullerenes and Graphene2016
- Author(s)
  H. Tachikawa and T. Iyama
- Organizer
  KJF-International Conference on Organic Materials for Electronics and Photonics 2016(KJF-ICOMEP2016)
- Place of Presentation
  アクロス福岡国際会議場（福岡市）
- Year and Date
  2016-09-04
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Promotion of the hydrogen abstraction reaction from the triplet excited state by intermolecular hydrogen bonding2015
- Author(s)
  H. Kawabata and H. Tachikawa
- Organizer
  1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2015-10-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Computer Aided-Molecular Design of Functionalized Fullerenes and Graphenes: Density Functional Theory (DFT) Study2015
- Author(s)
  H. Tachikawa
- Organizer
  28th International Microprocesses and Nanotechnology Conference (MNC 2015)
- Place of Presentation
  富山国際会議場（富山県)
- Year and Date
  2015-11-10
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] DFT Study on the Interaction of Polycyclic Aromatic Hydrocarbon (PAHs) with Hydrogen Atom2015
- Author(s)
  H. Tachikawa
- Organizer
  31st Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2015-06-03
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Molecular Design of Functionalized Nano-Carbon Materials: Styrene-Functionalized Graphene and C602015
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  28th International Microprocesses and Nanotechnology Conference (MNC 2015)
- Place of Presentation
  富山国際会議場（富山県)
- Year and Date
  2015-11-10
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Interaction of Organic Radical with Nano-graphene: Density Functional Theory (DFT) Study2015
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
- Place of Presentation
  ときメッセ（新潟県）
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Computer Aided Molecular Design of Electronic Device of the Smallest Fullerene C20: Interaction with Alkali ion and Atom, Solvation Process2015
- Author(s)
  H. Kawabata and H. Tachikawa
- Organizer
  28th International Microprocesses and Nanotechnology Conference (MNC 2015)
- Place of Presentation
  富山国際会議場（富山県)
- Year and Date
  2015-11-10
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Interaction of Alkyl Radicals with Fullerene (C60): Density Functional Theory (DFT) Study2015
- Author(s)
  H. Tachikawa
- Organizer
  Eighth International Conference on Molecular Electronics and Bioelectronics (M&BE8)
- Place of Presentation
  タワーホール船堀（東京都江戸川区）
- Year and Date
  2015-06-22
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] The Mechanism of H2 Desorption on Small Graphene Chips: DFT Study2015
- Author(s)
  H. Kawabata and H. Tachikawa
- Organizer
  The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
- Place of Presentation
  ときメッセ（新潟県）
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Proton Transfer Rates in Ionized Water Clusters (H2O)n (n=2-7)2015
- Author(s)
  T. Fukuzumi and H. Tachikawa
- Organizer
  1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2015-10-14
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Reaction Mechanism of Hydrogen with Polycyclic Aromatic Hydrocarbon (PAHs) Cation2015
- Author(s)
  H. Tachikawa
- Organizer
  31st Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2015-06-03
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Proton Transfer Rates in Ionized Water Clusters (H2O)n (n=2-7)2015
- Author(s)
  T. Fukuzumi and H. Tachikawa
- Organizer
  1st International Symposium of Institute for Catalysis - Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  北海道大学（札幌市）
- Year and Date
  2015-10-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Interaction of Organic Radical with Carbon Materials: Density Functional Theory (DFT) Study2015
- Author(s)
  H. Tachikawa
- Organizer
  The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
- Place of Presentation
  ときメッセ（新潟県）
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on Interaction of hydrogen Atom with Graphene and C60 Surfaces2015
- Author(s)
  H. Tachikawa
- Organizer
  The 5th International Symposium on Organic and Inorganic Electronic Materials and Related Nanotechnologies (EM-NANO 2015)
- Place of Presentation
  ときメッセ（新潟県）
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05371
[Presentation] Density Functional Theory (DFT) Study on Adsorption of Radical Species to Graphene Surface2013
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  5th International Conferences on Recent Progress in Graphene Research
- Place of Presentation
  東京工業大学（東京都目黒区）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] STRUCTURES AND ELECTRONIC STATES OF THE RADICALS ADSORBED ON GRAPHENE2013
- Author(s)
  H. Tachikawa
- Organizer
  26th International Microprocesses and Nanotechnology Conference (MNC 2013)
- Place of Presentation
  ロイトン札幌（札幌市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface2013
- Author(s)
  T. Iyama, and H. Tachikawa
- Organizer
  The 4th International Symposium on Organic and Inorganic Electronic Materials
- Place of Presentation
  石川県立音楽堂(金沢市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Adsorption of Radical Species to Graphene Surface: Density Functional Theory2013
- Author(s)
  T. Iyama, and H. Tachikawa
- Organizer
  Seventh International Conference on Molecular Electronics and Bio-Electronics
- Place of Presentation
  福岡国際会議場(福岡市)
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Enhancement of H2 Adsorption on Graphene Surface by Metal addition2013
- Author(s)
  K. Kato, T. Iyama, and H. Tachikawa
- Organizer
  The 4th International Symposium on Organic and Inorganic Electronic Materials
- Place of Presentation
  石川県立音楽堂(金沢市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Adsorption and Diffusion of Alkali ion on Boron/Nitrogen Substituted Graphene Nanoflakes2013
- Author(s)
  H. Tachikawa
- Organizer
  Seventh International Conference on Molecular Electronics and Bio-Electronics
- Place of Presentation
  福岡国際会議場(福岡市)
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Solvent Re-orientation Dynamics of Benzophenone-Water Clusters on Triplet State Potential Energy Surface2013
- Author(s)
  H. Tachikawa
- Organizer
  第33回溶液化学国際会議(33rd International Conference on Solution Chemistry)
- Place of Presentation
  京都テルサ（京都市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-flakes2013
- Author(s)
  H. Tachikawa
- Organizer
  The 4th International Symposium on Organic and Inorganic Electronic Materials
- Place of Presentation
  石川県立音楽堂(金沢市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Diffusion Dynamics of Alkali ion on Graphene Nano-Flakes2013
- Author(s)
  H. Tachikawa
- Organizer
  5th International Conferences on Recent Progress in Graphene Research
- Place of Presentation
  東京工業大学（東京都目黒区）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] omputer-Aided Molecular Design of Functional Graphene Nano-flakes: DFT Study2013
- Author(s)
  S.ABE, Y.NAGOYA, and H.TACHIKAWA
- Organizer
  26th International Microprocesses and Nanotechnology Conference (MNC 2013)
- Place of Presentation
  ロイトン札幌（札幌市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Structures and Electronic States of Benzophenone-Water Clusters2013
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  第33回溶液化学国際会議(33rd International Conference on Solution Chemistry)
- Place of Presentation
  京都テルサ（京都市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with GrapheneSurface2012
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  International Conference on Nano-Molecular Electronics (ICNME2012)
- Place of Presentation
  淡路夢舞台国際会議場（兵庫県）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Computer-Aided Molecular Design of Single Molecule Electronic Devices2012
- Author(s)
  H. Tachikawa
- Organizer
  International Conference on Organic Materials for Electronics and Photonics 2012 (KJF2012)
- Place of Presentation
  東北大学（仙台市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Density Functional Theory Study on the Interaction of Carbon Materials with Radicals2012
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  International Conference on Organic Materials for Electronics and Photonics 2012 (KJF2012)
- Place of Presentation
  東北大学（仙台市）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Bnad Gap Tuning of the Radical Added Graphene Nano-Flakes2012
- Author(s)
  H. Tachikawa
- Organizer
  International Conference on Nano-Molecular Electronics (ICNME2012)
- Place of Presentation
  淡路夢舞台国際会議場（兵庫県）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] DFT study on interaction of radicals and atoms with graphene surface2012
- Author(s)
  H. Tachikawa
- Organizer
  International Symposium on Advances Plasma Science and its Applications for Nitrides and Nanomaterials (ISPlasma2012)
- Place of Presentation
  中部大学（愛知県）
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] 光によって引き起こされる溶媒和過程の実時間追尾:ダイレクト・アブイニシオMD法によるアプローチ2011
- Author(s)
  井山哲二、田地川浩人
- Organizer
  分子科学討論会
- Place of Presentation
  札幌コンベンションセンター
- Year and Date
  2011-09-23
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] 水素化したフラーレンの電子状態と動的挙動2011
- Author(s)
  井山哲二、加藤晃一、川畑弘、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] 紫外線によるDNA損傷の理論的研究2011
- Author(s)
  福澄孝博、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] Diffusion Dynamics of the Li ion on fullerene C602011
- Author(s)
  H. Tachikawa
- Organizer
  M & BE 2011
- Place of Presentation
  Sendai
- Year and Date
  2011-03-10
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT and Molecular Dynamics (MD) Study on the Interaction of Metal with C60 Surfaces2011
- Author(s)
  H.Tachikawa
- Organizer
  21st International Photovoltaic Science and Engineering Conference (PVSEC21)
- Place of Presentation
  シーホークホテル(福岡)
- Year and Date
  2011-12-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] 水素化グラフェン表面からの水素分子脱離メカニズム2011
- Author(s)
  川畑弘、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT Study on the Interaction of radicals and atoms with the graphene surface C602011
- Author(s)
  H. Fukuzumi, H. Tachikawa
- Organizer
  M & BE 2011
- Place of Presentation
  Sendai
- Year and Date
  2011-03-10
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] カーボンナノチューブとタンパクとの相互作用2011
- Author(s)
  阿部薫明、小峰梨果、石川紘佑、亘理文夫、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] グラフェン・チップ上の金属原子の電子状態と動的挙動2011
- Author(s)
  加藤晃一、井山哲二、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT and Molecular Dynamics (MD) Study on the Interaction of Metal with C60 Surfaces2011
- Author(s)
  H. Tachikawa
- Organizer
  21st International Photovoltaic Science and Engineering Conference (PVSEC21)
- Place of Presentation
  Fukuoka
- Year and Date
  2011-11-30
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT STUDY ON THE INTERACTION OF RADICALS AND ATOMS WITH THE GRAPHENE AND C60 SURFACES2011
- Author(s)
  T. Fukuzumi, H. Tachikawa
- Organizer
  21st International Photovoltaic Science and Engineering Conference (PVSEC21)
- Place of Presentation
  Fukuoka
- Year and Date
  2011-11-30
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] 水素結合クラスターの電子状態と動的挙動2011
- Author(s)
  高田知哉、今野勇司、田地川浩人
- Organizer
  日本化学会北海道支部2011年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2011-02-01
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] Density Functional Theory Study on the Reactions of Fullerene (C60) with Radicals2011
- Author(s)
  T. Iyama, H. Tachikawa
- Organizer
  M & BE 2011
- Place of Presentation
  Sendai
- Year and Date
  2011-03-10
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] A DFT study on Interaction of Ethylene Carbonate and Nano Carbon Materials2011
- Author(s)
  S. Abe, Y. Nagoya, F. Warari, H. Tachikawa
- Organizer
  21st International Photovoltaic Science and Engineering Conference (PVSEC21)
- Place of Presentation
  Fukuoka
- Year and Date
  2011-11-30
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT Study on Hydrogen Adsorption/ Desorption Reversible Processes on Graphene Surface2011
- Author(s)
  H. Kawabata, H. Tachikawa
- Organizer
  M & BE 2011
- Place of Presentation
  Sendai
- Year and Date
  2011-03-10
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DFT Study on the interaction of metal atoms with graphene chip2011
- Author(s)
  K. Kato, H. Tachikawa
- Organizer
  M & BE 2011
- Place of Presentation
  Sendai
- Year and Date
  2011-03-10
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2010
- Author(s)
  田地川浩人
- Organizer
  第4回分子科学討論会
- Place of Presentation
  豊中市(大阪大学)
- Year and Date
  2010-09-23
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] DNA損傷チミンダイマーの修復反応ダイナミクス:ダイレクト・アブイニシオMD法によるアプローチ2009
- Author(s)
  田地川浩人
- Organizer
  第3回分子科学討論会
- Place of Presentation
  名古屋大学名古屋
- Year and Date
  2009-09-23
- Data Source
  KAKENHI-PROJECT-21550002
[Presentation] 水クラスターカチオン中のプロトン移動速度：理論的研究
- Author(s)
  高田知哉, 田地川浩人
- Organizer
  日本化学会北海道支部2015年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2015-01-27 – 2015-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Density Functional Theory (DFT) Study on the Reactions of Fullerene (C60) with Radicals
- Author(s)
  T. Iyama, K. Kato and H. Tachikawa
- Organizer
  The 6th World Conference on Photovoltaic Energy Conversion (WCPEC-6)
- Place of Presentation
  Kyoto
- Year and Date
  2014-11-23 – 2014-11-27
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 対流圏におけるハロカーボンの光分解ダイナミクス
- Author(s)
  加藤晃一, 井山哲二, 田地川浩人
- Organizer
  日本化学会北海道支部2015年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2015-01-27 – 2015-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] ベンゾフェノンへの光照射効果
- Author(s)
  井山哲二, 加藤晃一, 田地川浩人
- Organizer
  日本化学会北海道支部2014年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2014-01-27 – 2014-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-Flakes: Density Functional Theory (DFT) Study
- Author(s)
  H. Tachikawa, T. Fukuzumi and T. Iyama
- Organizer
  The 19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
- Place of Presentation
  Nigata
- Year and Date
  2014-09-01 – 2014-09-05
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] グラフェンと金属との相互作用の理論解明：DFT計算
- Author(s)
  井山哲二, 加藤晃一, 田地川浩人
- Organizer
  日本化学会北海道支部2015年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2015-01-27 – 2015-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 多環芳香族炭化水素と水素原子の反応メカニズム
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  日本天文学会2015春季年会
- Place of Presentation
  豊中
- Year and Date
  2015-03-18 – 2015-03-21
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] INTERACTION OF RADICALS AND ATOMS WITH C60 AND GRAPHENE SURFACES: DENSITY FUNCTIONAL THEORY (DFT) STUDY
- Author(s)
  Hiroto Tachikawa, Takahiro Fukuzumi, and Tetuji Iyama
- Organizer
  6th World Conference on Photovoltaic Energy Conversation (WCPEC-6)
- Place of Presentation
  国立京都国際会館(京都市左京区)
- Year and Date
  2014-11-24 – 2014-11-27
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Functionalization of Graphene Surface with Organic Radicals: A Density Functional Theory (DFT) Study
- Author(s)
  T. Iyama and H. Tachikawa
- Organizer
  The 27th International Microprocesses and Nanotechnology Conference (MNC 2014)
- Place of Presentation
  Fukuoka
- Year and Date
  2014-11-04 – 2014-11-07
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] グラフェンとマグネシウムとの相互作用の理論解明：DFT計算
- Author(s)
  加藤晃一, 井山哲二, 田地川浩人
- Organizer
  日本化学会北海道支部2014年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2014-01-27 – 2014-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Structures and Electronic States of the Radicals Adsorbed on Graphene
- Author(s)
  Hiroto TACHIKAWA
- Organizer
  International Microprocesses and Nanotechnology Conference(MNC2014)
- Place of Presentation
  ヒルトン福岡シーホーク(福岡市中央区)
- Year and Date
  2014-11-04 – 2014-11-07
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Structures and Electronic States of the Radicals Adsorbed on Graphene
- Author(s)
  H. Tachikawa
- Organizer
  The 27th International Microprocesses and Nanotechnology Conference (MNC 2014)
- Place of Presentation
  Fukuoka
- Year and Date
  2014-11-04 – 2014-11-07
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface
- Author(s)
  Tetsuji Iyama, Koichi Kato and Hiroto Tachikawa
- Organizer
  19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
- Place of Presentation
  朱鷺メッセ(新潟市中央区)
- Year and Date
  2014-09-01 – 2014-09-05
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] STRUCTURES AND ELECTRONIC STATES OF THE RADICALS ADSORBED ONGRAPHENE: DENSITY FUNCTIONAL
- Author(s)
  Hiroto Tachikawa
- Organizer
  11th International Conference on Nano-Molecular Electronics (ICNME2014)
- Place of Presentation
  神戸国際会議場(神戸市中央区)
- Year and Date
  2014-12-17 – 2014-12-19
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] DENSITY FUNCTIONAL THEORY (DFT) STUDY ON THE REACTIONS OF FULLERENE (C60) WITH RADICALS
- Author(s)
  Tetuji Iyama, Koichi Kato, and Hiroto Tachikawa
- Organizer
  6th World Conference on Photovoltaic Energy Conversation (WCPEC-6)
- Place of Presentation
  国立京都国際会館(京都市左京区)
- Year and Date
  2014-11-24 – 2014-11-27
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] リチウムイオンの脱溶媒和ダイナミクス
- Author(s)
  阿部薫明, 田地川浩人
- Organizer
  日本化学会北海道支部2014年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2014-01-27 – 2014-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] ELECTRONIC STATES OF FUNCTIONALIZED GRAPHENE: DENSITYFUNCTIONAL THEORY (DFT) STUDY
- Author(s)
  Takahiro Fukuzumi, Tetsuji Iyama, Hiroto Tachikawa
- Organizer
  11th International Conference on Nano-Molecular Electronics (ICNME2014)
- Place of Presentation
  神戸国際会議場(神戸市中央区)
- Year and Date
  2014-12-17 – 2014-12-19
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] Electronic States of Functionalized Graphene: Density Functional Theory (DFT) Study
- Author(s)
  T. Fukuzumi, T. Iyama and H. Tachikawa
- Organizer
  The 11th International Conference on Nano-Molecular Electronics (ICNME2014)
- Place of Presentation
  Kobe, Japan
- Year and Date
  2014-12-17 – 2014-12-19
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Computer-Aided Molecular Design of Functional Graphene Nano-Flakes: Density Functional Theory (DFT) Study
- Author(s)
  Hiroto Tachikawa, Takahiro Fukuzumi and Tetsuji Iyama
- Organizer
  19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
- Place of Presentation
  朱鷺メッセ(新潟市中央区)
- Year and Date
  2014-09-01 – 2014-09-05
- Data Source
  KAKENHI-PROJECT-24550001
[Presentation] 水和結合クラスターへの光照射効果：理論的アプローチ
- Author(s)
  高田知哉, 田地川浩人
- Organizer
  日本化学会北海道支部2014年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2014-01-27 – 2014-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Interaction of Radicals and Atoms with C60 and Graphene Surfaces: Density Functional Theory (DFT) Study
- Author(s)
  H. Tachikawa, T. Fukuzumi and T. Iyama
- Organizer
  The 6th World Conference on Photovoltaic Energy Conversion (WCPEC-6)
- Place of Presentation
  Kyoto
- Year and Date
  2014-11-23 – 2014-11-27
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Structures and Electronic States of the Electronic States of the Radicals Adsorbed on Graphene: Density Functional Theory (DFT) Study
- Author(s)
  H. Tachikawa and H. Kawabata
- Organizer
  The 11th International Conference on Nano-Molecular Electronics (ICNME2014)
- Place of Presentation
  Kobe, Japan
- Year and Date
  2014-12-17 – 2014-12-19
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 水和ペプチドへの宇宙線照射効果
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  日本化学会北海道支部2014年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2014-01-27 – 2014-01-28
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] Density Functional Theory (DFT) Study on Interaction of Radicals and Atoms with Graphene Surface
- Author(s)
  T. Iyama, K. Kato and H. Tachikawa
- Organizer
  The 19th International Conference on Ternary and Multinary Compounds (ICTMC-19)
- Place of Presentation
  Nigata
- Year and Date
  2014-09-01 – 2014-09-05
- Data Source
  KAKENHI-PLANNED-25108004
[Presentation] 星間分子PAHと水素原子との反応メカニズム
- Author(s)
  福澄孝博, 田地川浩人
- Organizer
  日本化学会北海道支部2015年冬季研究発表会
- Place of Presentation
  北海道大学
- Year and Date
  2015-01-27 – 2015-01-28
- Data Source
  KAKENHI-PLANNED-25108004

1. ICHIKAWA Tsumeki (10001942)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. Fukazawa Tomoko (40409496)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. NOMURA HIDEKO (20397821)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. TOMOAKI WATANABE (40324909)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. KOIZUMI Hitoshi (00175324)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. YAMADA KAZUO (30590658)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
7. 小笠原正明 (60001343)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 清水晃 (90002013)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 三浦均 (50507910)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 渡邊禎之 (70463065)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. ABE Shigeaki

# of Collaborated Projects: 0 results

# of Collaborated Products: 6 results
12. HAMA Tetsuya

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. NAKAMURA Mariko

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 吉田靖弘

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results
15. 渡部直樹

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
16. 香内晃

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 渡辺潤一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 丸本一弘

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Tachikawa Hiroto 田地川 浩人

田地川 浩人 タチカワ ヒロト

TACHIKAWA Hiroto 田地川 浩人

Research Projects

Research Products

Co-Researchers

Real-time reaction dynamics of micro-solvated clusters by direct ab initio MD methodPrincipal Investigator

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ダイレクト・アブイニシオMD法による光誘起・宇宙化学反応の理論解明Principal Investigator

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ダイレクト・アブイニシオMD法による微視的溶媒和クラスター反応の実時間追尾Principal Investigator

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Improvement of the durability of concrete for very long-term by computational science for the interaction between cement hydrates and alkalis

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Direct Ab-initio Molecular Dynamics (AIMD) Study on the Effects of Micro-solvation on the Reaction Mechanisms in Hydrated Clusters.Principal Investigator

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Theoretical Modeling of Surface Processes and MC- and PP-disk chemistry

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Direct Ab-initio Molecular Dynamics (MD) Study on the Ionization and Electron Capture Dynamics of Micro-Solvated ClustersPrincipal Investigator

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Direct ab-initio MD Study on real time reaction dynamics of solvation clusters.Principal Investigator

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Development of direct ab-initio dynamics method and its application to molecular designsPrincipal Investigator

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Development of direct ab-initio dynamics method and its application to reaction designPrincipal Investigator

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ダイレクトダイナミックス法によるダイアモンド、グラファイト中の化学種の拡散機構

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Development of full dimensional ab-initio direct dynamics method and its application to chemical reactionsPrincipal Investigator

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ダイレクト・アブイニシオ・ダイナミックス法によるイオン・分子反応の理論的研究Principal Investigator

Principal Investigator

Tachikawa Hiroto 田地川浩人

田地川浩人タチカワヒロト

TACHIKAWA Hiroto 田地川浩人