TAKAYANAGI Toshiyuki 高柳敏幸

… Alternative Names

高柳敏幸タカヤナギトシユキ

Less

Researcher Number	90354894
Affiliation (Current)	2022: 埼玉大学, 理工学研究科, 教授
Affiliation (based on the past Project Information) *help	2008 – 2022: Saitama University, 理工学研究科, 教授 2011: 埼玉大学, 大学院・理工学研究科, 教授 2006: Saitama University, Graduate School of Science and Engineering, Associate Professor, 理工学研究科, 助教授 2005: 埼玉大学, 理学部, 助教授 2003: 日本原子力研究所, 先端基礎研究センター, 副主任研究員
Review Section/Research Field	Principal Investigator Physical chemistry / Science and Engineering / Basic Section 32010:Fundamental physical chemistry-related / Transition State Control Except Principal Investigator Science and Engineering / Transformative Research Areas, Section (II)
Keywords	Principal Investigator 反応動力学 / ポテンシャルエネルギー曲面 / 溶媒和電子 / 電子衝突 / 量子効果 / 非断熱遷移 / 量子化学 / 分子クラスター / 水素結合 / 電子脱離 … More / 放射線損傷 / 分子アニオン / 解離性電子付着 / 核量子効果 / 原子・分子物理 / 化学物理 / スピン反転 / アニオンクラスター / トリチウム化学 / 同位体効果 / 水素原子拡散 / 表面反応 / 水和電子 / 量子化学計算 / 量子動力学 / 電子状態理論 / 共鳴アニオン / 反応ダイナミクス / 量子反応性散乱 / ポテンシャル曲面 / 星間分子 / 反応速度定数 / reaction dynamics / quantum reactive scattering / potential energy surface / interstellar molecule / nonadiabatic transition / rate constant / ヘリウムクラスター / 量子波束 / 量子ダイナミクス / リングポリマー分子動力学法 / 星間反応 / イオン化ダイナミクス / 水素分子触媒 / 宇宙科学 / 地球化学 / 原子分子物理 / 計算化学 / 遷移状態 / 量子波束法 / 分子衝突 / 遷移状態分光 / 光電子分光 / 波束動力学 / 光電子スペクトル / 量子散乱理論 / 陽電子親和力 / 相関分極ポテンシャル / 陽電子衝突 / 密度汎関数法 / 相関ポテンシャル / 触媒反応 / 反経路探索 … More Except Principal Investigator 励起酸素原子 / 画像観測法 / 微分散乱断面積 / 検出感度分布 / エネルギー可変交差分子線装置 / 古典トラジェクトリー計算 / 反応分岐比 / 交差分子線 / 散乱計算 / 成層圏 / 水和機構 / 化学物理 / クラスター / 経路積分 / 生体分子 / アストロケミストリー / 量子化学計算 / 理論天文学 / 星・惑星系形成 Less

Development of automated path search methods for reactions including spin-inversionPrincipal Investigator
- Principal Investigator
  
  高柳敏幸
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Saitama University
Theoretical astrochemistry based on microscopic processes in the gas and solid phases
- Principal Investigator
  
  相川祐理
- Project Period (FY)
  2020 – 2024
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  The University of Tokyo
Development of positron chemical reaction theory for biomoleculesPrincipal Investigator
- Principal Investigator
  
  Takayanagi Toshiyuki
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Saitama University
Theoretical study for the observation of transition state of chemical reactionPrincipal Investigator
- Principal Investigator
  
  TAKAYANAGI Toshiyuki
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Transition State Control
- Research Institution
  Saitama University
Theoretical study on hydrogen catalysis mechanisms in interstellar molecular evolutionPrincipal Investigator
- Principal Investigator
  
  高柳敏幸
- Project Period (FY)
  2016 – 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
  Saitama University
Development of all-atom condensed-phase reaction dynamics theory with quantum mechanicsPrincipal Investigator
- Principal Investigator
  
  TAKAYANAGI Toshiyuki
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Saitama University
Deeping of molecular-level understanding of biological damage mechanisms by low-energy electronsPrincipal Investigator
- Principal Investigator
  
  TAKAYANAGI Toshiyuki
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Saitama University
核の量子性を考慮したトリチウム化学反応過程の理論的研究Principal Investigator
- Principal Investigator
  
  高柳敏幸
- Project Period (FY)
  2010 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Saitama University
量子・熱ゆらぎを考慮した生体分子高次系クラスターの理論的解明
- Principal Investigator
  
  立川仁典
- Project Period (FY)
  2010 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Yokohama City University
Development of the first-principles simulation method for biomolecular damage by low-energy electronsPrincipal Investigator
- Principal Investigator
  
  TAKAYANAGI Toshiyuki
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Saitama University
溶媒和電子ダイナミクスの理論研究Principal Investigator
- Principal Investigator
  
  高柳敏幸
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Saitama University
Theoretical study of chemical reactions of neutral molecules in interstellar spacePrincipal Investigator
- Principal Investigator
  
  TAKAYANAGI Toshiyuki
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Saitama University
交差分子線散乱実験による励起酸素原子O(1D)反応の解明
- Principal Investigator
  
  高口博志, 鈴木俊法
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The Institute of Physical and Chemical Research
  Okazaki National Research Institutes

[Journal Article] 分子の振動励起状態を経由した陽電子‐電子対消滅過程の理論計算2022
- Author(s)
  高柳敏幸，鈴木春哉，大友拓真，飯田龍聖，立川仁典
- Journal Title
  
  陽電子科学
  
  Volume: 18 Pages: 27-34
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05365
[Journal Article] Contribution of vibrational overtone excitations to positron annihilation rates for benzene and naphthalene2021
- Author(s)
  R. Iida, H. Suzuki, T. Takayanagi, M. Tachikawa
- Journal Title
  
  Physical Review A
  
  Volume: 104
- DOI
  10.1103/physreva.104.062807
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05365, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026
[Journal Article] 化学ダイナミクスにおける核量子効果：経路積分分子動力学法とリングポリマー分子動力学法の応用2020
- Author(s)
  高柳敏幸，宮崎貴暉
- Journal Title
  
  アンサンブル（分子シミュレーション学会誌）
  
  Volume: 22 Pages: 8-13
- NAID
  130007978496
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Positron?electron correlation‐polarization potential model for positron binding in polyatomic molecules2020
- Author(s)
  Y. Sugiura, H. Suzuki, T. Otomo, T. Miyazaki, T. Takayanagi, M. Tachikawa
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 41 Pages: 1576-1585
- DOI
  10.1002/jcc.26200
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05365, KAKENHI-PUBLICLY-19H05155, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Positron binding in chloroethenes: Modeling positron-electron correlation-polarization potentials for molecular calculations2020
- Author(s)
  H. Suzuki, T. Otomo, R. Iida, Y. Sugiura, T. Takayanagi, M. Tachikawa
- Journal Title
  
  Physical Review A
  
  Volume: 102
- DOI
  10.1103/physreva.102.052830
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K05365, KAKENHI-PUBLICLY-19H05155, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations2020
- Author(s)
  Saito Kohei、Watabe Yuya、Fujihara Takashi、Takayanagi Toshiyuki、Hasegawa Jun‐ya
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 41 Pages: 1130-1138
- DOI
  10.1002/jcc.26159
- NAID
  120007034051
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-15H05805, KAKENHI-PROJECT-17KT0093, KAKENHI-PROJECT-20H02685
[Journal Article] Theoretical calculation of positron annihilation spectrum using positron‐electron correlation‐polarization potential2020
- Author(s)
  Y. Sugiura, T. Takayanagi, M. Tachikawa
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 120
- DOI
  10.1002/qua.26376
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05365, KAKENHI-PUBLICLY-19H05155, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945
[Journal Article] Reduced-dimensionality Quantum dynamics Study of the 3Fe(CO)4 + H2 -> 1FeH2(CO)4 spin-inversion reaction2020
- Author(s)
  T. Takayanagi, Y. Watabe, T. Miyazaki
- Journal Title
  
  Molecules
  
  Volume: 25
- DOI
  10.3390/molecules25040882
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Theoretical study on the spectroscopic observation of intersystem crossing between 3B1 and 1A1 states of GeH2 using the GeH2- (2B1) anion,2019
- Author(s)
  Y. Watabe, T. Miyazaki, *T. Takayanagi, Y. Suzuki
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 123 Pages: 5734-5740
- DOI
  10.1021/acs.jpca.9b04548
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Ionization dynamics of Ne-doped helium clusters at low temperature: Ring-polymer molecular dynamics simulations including electronically nonadiabatic transitions2019
- Author(s)
  T. Miyazaki, T. Takayanagi
- Journal Title
  
  Comp. Theo. Chem.
  
  Volume: 1163
- DOI
  10.1016/j.comptc.2019.112537
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Quantum dynamics calculation of the annihilation spectrum for positron?proline scattering2019
- Author(s)
  Y. Sugiura, K. Suzuki, S. Koido, T. Takayanagi, Y. Kita, and M. Tachikawa
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1147 Pages: 1-7
- DOI
  10.1016/j.comptc.2018.11.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093, KAKENHI-PUBLICLY-19H05063, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18H01945
[Journal Article] Positron binding to hydrocarbon molecules: calculation using the positron?electron correlation polarization potential2019
- Author(s)
  Y. Sugiura, T. Takayanagi, Y. Kita, M. Tachikawa
- Journal Title
  
  The European Physical Journal D
  
  Volume: 73 Pages: 1621-10
- DOI
  10.1140/epjd/e2019-100147-y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05365, KAKENHI-PUBLICLY-19H05063, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18H01945
[Journal Article] Hydration Effect on Positron Binding Ability of Proline: Positron Attachment Induces Proton-Transfer To Form Zwitterionic Structure2019
- Author(s)
  K. Suzuki, Y. Sugiura, T. Takayanagi, Y. Kita, and M. Tachikawa
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 123 Pages: 1217-1224
- DOI
  10.1021/acs.jpca.8b11653
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093, KAKENHI-PUBLICLY-19H05063, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18H01945
[Journal Article] Automated reaction path search calculations of spin-inversion mechanisms in the 6,4,2Nb + C2H4 reaction2019
- Author(s)
  M. Kawano, S. Koido, T. Nakatomi, Y. Watabe, and T. Takayanagi
- Journal Title
  
  Comp. Theo. Chem.
  
  Volume: 1115 Pages: 31-37
- DOI
  10.1016/j.comptc.2019.03.021
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Computational analysis of two-state reactivity in beta-hydride elimination mechanisms of Fe(II) and Co(II)-alkyl complexes2019
- Author(s)
  T. Takayanagi, K. Saito, H. Suzuki, Y. Watabe, T. Fujihara
- Journal Title
  
  Organometallics
  
  Volume: 38 Pages: 3582-3589
- DOI
  10.1021/acs.organomet.9b00418
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Quantum dynamics calculations for e+ + LiH -> Li+ + [H-; e+] dissociative positron attachment using a pseudopotential model2018
- Author(s)
  Suzuki Kento、Takayanagi Toshiyuki、Kita Yukiumi、Tachikawa Masanori、Oyamada Takayuki
- Journal Title
  
  Comp. Theo. Chem.
  
  Volume: 1123 Pages: 135-141
- DOI
  10.1016/j.comptc.2017.11.023
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-PUBLICLY-16H00932, KAKENHI-PROJECT-17KT0093, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] 原子・分子の陽電子束縛機構と対消滅機構解明のための高精度第一原理計算2018
- Author(s)
  立川仁典，北幸海，小山田隆行，高柳敏幸
- Journal Title
  
  しょうとつ（原子衝突学会）
  
  Volume: 15 Pages: 113-126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] On the ion-pair dissociation mechanisms in the small NaCl(H2O)6 cluster: a perspective from reaction path search calculations2018
- Author(s)
  T. Takayanagi, T. Nakatomi, and Y. Yonetani
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 39 Pages: 1835-1842
- DOI
  10.1002/jcc.25227
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Nuclear quantum effects in direct ionization processes of pure helium clusters: path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces2018
- Author(s)
  K. Suzuki, T. Miyazaki, T. Takayanagi, and M. Shiga
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 20 Pages: 26489-26499
- DOI
  10.1039/c8cp05389h
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Theoretical calculations of photoelectron spectrum of (Au-CO2)- anion2018
- Author(s)
  Y. Watabe, T. Miyazaki, E. Ozama, T. Takayanagi, and Y. Suzuki
- Journal Title
  
  Comp. Theo. Chem.
  
  Volume: 1140 Pages: 56-62
- DOI
  10.1016/j.comptc.2018.07.019
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Reduction of OH vibrational frequencies in amino acids by positron attachment2018
- Author(s)
  Y. Sugiura, K. Suzuki, T. Takayanagi, M. Tachikawa, and Y. Kita
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 39 Pages: 2060-2066
- DOI
  10.1002/jcc.25387
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093, KAKENHI-PROJECT-18H01945, KAKENHI-PROJECT-15KT0067
[Journal Article] Automated reaction path searches for spin-forbidden reactions2018
- Author(s)
  T. Takayanagi and T. Nakatomi
- Journal Title
  
  J. Comp. Chem.
  
  Volume: 39 Pages: 1319-1326
- DOI
  10.1002/jcc.25202
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] Quantum simulation verifies the stability of an 18 coordinated actinium-helium complex2018
- Author(s)
  Eiki Ozama, Sadia Adachi, Toshiyuki Takayanagi, Motoyuki Shiga
- Journal Title
  
  Chem. Eur. J.
  
  Volume: 24 Pages: 12716-12721
- DOI
  10.1002/chem.201802554
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05675, KAKENHI-PROJECT-17KT0093
[Journal Article] The effects of water microsolvation on the C2O4- <-> CO2 CO2- core switching reaction: perspective from exploration of pathways on the potential energy surfaces of small [(CO2)2(H2O)n]- (n = 1 and 2) clusters2017
- Author(s)
  Manami Kondo, Toshiyuki Takayanagi,
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1105 Pages: 61-68
- DOI
  10.1016/j.comptc.2017.02.020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Theoretical analyses of the time-resolved nuclear dynamics of the transition state for the 1,3,5,7-cyclooctatetraene unimolecular reaction2017
- Author(s)
  Chihiro Tokizaki, Takahiko Yoshida, Toshiyuki Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1112 Pages: 20-26
- DOI
  10.1016/j.comptc.2017.04.010
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Quantum dynamics study on the binding of a positron to vibrationally excited states of hydrogen cyanide molecule2017
- Author(s)
  Toshiyuki Takayanagi, Kento Suzuki, Takahiko Yoshida, Yukiumi Kita, Masanori Tachikawa
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 675 Pages: 118-123
- DOI
  10.1016/j.cplett.2017.03.025
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26410020, KAKENHI-PROJECT-15K05375, KAKENHI-PROJECT-15KT0067, KAKENHI-PUBLICLY-16H00780
[Journal Article] Photoexcited Ag ejection from a low-temperature He cluster: A simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics2017
- Author(s)
  Seki Yusuke、Takayanagi Toshiyuki、Shiga Motoyuki
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 19 Pages: 13798-13806
- DOI
  10.1039/c7cp00888k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K05675, KAKENHI-PROJECT-15K05375
[Journal Article] SCCJ Café – Season 5 – Molecular Science in Biology(4)–Novel Quantum Beam, Muon Spectroscopy and Theoretical Approach–2017
- Author(s)
  飯沼裕美, 大場優生，河村成肇，高妻孝光，菅原洋子，高柳敏幸, 立川仁典
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: 16 Issue: 1 Pages: A12-A17
- DOI
  10.2477/jccj.2017-0006
- NAID
  130005635527
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Journal Article] Nonadiabatic quantum dynamics calculations of transition state spectroscopy of I + HI and I + DI reactions: the existence of long life vibrational bonding resonances2017
- Author(s)
  T. Takayanagi
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 19 Pages: 29125-29133
- DOI
  10.1039/c7cp05478e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0093
[Journal Article] New Perspectives in Muonium Chemical Reactions2016
- Author(s)
  高柳敏幸，吉田崇彦
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: - Issue: 5 Pages: 119-123
- DOI
  10.2477/jccj.2016-0006
- NAID
  130005310480
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair: Ring-polymer and classical molecular dynamics simulations2016
- Author(s)
  Yusuke Minoshima, Yusuke Seki, Toshiyuki Takayanagi, Motoyuki Shiga
- Journal Title
  
  Chemical Physics
  
  Volume: 472 Pages: 1-8
- DOI
  10.1016/j.chemphys.2016.02.019
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375, KAKENHI-PROJECT-16K05675
[Journal Article] Quantum chemical study of dissociative electron attachment to D-ribose and D-fructose2016
- Author(s)
  Tomoki Fujita, Manami Kondo, Toshiyuki Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1075 Pages: 70-76
- DOI
  10.1016/j.comptc.2015.11.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces2016
- Author(s)
  Chihiro Tokizaki, Takahiko Yoshida, Toshiyuki Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 469-470 Pages: 97-104
- DOI
  10.1016/j.chemphys.2016.02.005
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Dynamics of dipole- and valence bound anions in iodide-adenine binary complexes: A time-resolved photoelectron imaging and quantum mechanical investigation2015
- Author(s)
  Anne B. Stephansen, Sarah B. King, Yuki Yokoi, Yusuke Minoshima, Wei-Li Li, Alice Kunin, Toshiyuki Takayanagi, Daniel M. Neumark
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 143
- DOI
  10.1063/1.4929995
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] From photoelectron detachment spectra of BrHBr－, BrDBr－ and IHI－, IDI－ to vibrational bonding of BrMuBr and IMuI2015
- Author(s)
  Joern Manz, Kazuma Sato, Toshiyuki Takayanagi, Takahiko Yoshida
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 142
- DOI
  10.1063/1.4918980
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Electron accommodation dynamics in the DNA base thymine2015
- Author(s)
  Sarah B. King, Anne B. Stephansen, Yuki Yokoi, Margaret A. Yandell, Alice Kunin, Toshiyuki Takayanagi, Daniel M. Neumark
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 143
- DOI
  10.1063/1.4923343
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Semiclassical dynamics of electron attachment to guanine-cytosinebase pair2015
- Author(s)
  Tomohiro Honda, Yusuke Minoshima, Yuki Yokoi,Toshiyuki Takayanagi, Motoyuki Shiga
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 625 Pages: 174-178
- DOI
  10.1016/j.cplett.2015.03.006
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Quantum reactive scattering study of the S(3P) + NH(X3Σ) → NS(X2Π) + H(2S) / SH(X2Π) + N(4S) reaction on the lowest three (1A', 1A", and 3A") potential energy surfaces: contribution of HNS/HSN isomerization and spin-forbidden process2015
- Author(s)
  Kazuma Sato, Toshiyuki Takayanagi,
- Journal Title
  
  Chemical Physics
  
  Volume: 450-451 Pages: 74-82
- DOI
  10.1016/j.chemphys.2015.02.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Direct dynamics study of the N(4S) + CH3(2A00 2) reaction2015
- Author(s)
  Sachie Chiba, Tomohiro Honda, Manami Kondo, Toshiyuki Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1061 Pages: 46-51
- DOI
  10.1016/j.comptc.2015.03.015
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Theoretical analysis of the transition-state spectrum of the cyclooctatetraene unimolecular reaction: Three degree-of-freedom model calculations2015
- Author(s)
  Takahiko Yoshida, Chihiro Tokizaki, Toshiyuki Takayanagi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 634 Pages: 134-139
- DOI
  10.1016/j.cplett.2015.06.018
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] First-principles simulations of transition state spectra of the I + HI and I + DI reactions and vibrational bonding in IMuI2015
- Author(s)
  Takahiko Yoshida, Kazuma Sato, Toshiyuki Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 457 Pages: 51-56
- DOI
  10.1016/j.chemphys.2015.05.019
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K05375
[Journal Article] Fundamental Change in the Nature of Chemical Bonding by Isotopic Substitution2014
- Author(s)
  Donad G. Fleming, Joern Manz, Kazuma Sato, Toshiyuki Takayanagi
- Journal Title
  
  Angewandte Chemistry International Edition
  
  Volume: 53 Pages: 13706-13709
- DOI
  10.1002/anie.201408211
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P) + NH(X3R)? NS(X2P) + H(2S) and N(4S) + SH(X2P) -> NS(X2P) + H(2S) reactions2014
- Author(s)
  Kazuma Sato, Toshiyuki Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 439 Pages: 63-70
- DOI
  10.1016/j.chemphys.2014.05.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Mode Selective Dynamics and Kinetics of the H2 + F2 → H + HF + F Reaction2014
- Author(s)
  Akira Matsugi, Toshiyuki Takayanagi
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 16 Pages: 22517-22526
- DOI
  10.1039/c4cp03362k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Application of long-range corrected density-functional theory to excess electron attachment to biomolecules2014
- Author(s)
  Yuki Yokoi, Kento Kano, Yusuke Minoshima, Toshiyuki Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1046 Pages: 99-106
- DOI
  10.1016/j.comptc.2014.08.006
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Theoretical study of N(4S, 2D) + CH3(2A2") reaction mechanisms revisited: the importance of spin-forbidden and roaming dynamics processes2014
- Author(s)
  S.Chiba, F.Yoshida, T. Takayanagi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 595-596 Pages: 103-108
- DOI
  10.1016/j.cplett.2014.01.033
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Nonadiabatic Relaxation Dynamics of Water Anion2014
- Author(s)
  Takehiro Yoshikawa, Toshiyuki Takayanagi
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 114 Pages: 636-641
- DOI
  10.1002/qua.24642
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Quantum localization/delocalization of muonium in the glycine-K+ complex2014
- Author(s)
  Takehiro Yoshikawa, Tomohiro Honda, Toshiyuki Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 440 Pages: 135-141
- DOI
  10.1016/j.chemphys.2014.06.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Theoretical Study of Excess Electron Attachment Dynamics to the Guanine-Cytosine Base Pair: Electronic Structure Calculations and Ring-Polymer Molecular Dynamics Simulations2013
- Author(s)
  Y. Sugioka, T. Yoshikawa, T. Takayanagi
- Journal Title
  
  Journal of Physical Chemistry A
  
  Volume: 117 Pages: 11403-11410
- DOI
  10.1021/jp4067058
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Preference Behavior on Donating Atoms of an Ambidentate Ligand 2-Methylisothiazol-3(2H)-one in its Metal Complexes2013
- Author(s)
  M. Kato, K. Unoura, T. Takayanagi, Y. Ikeda, T, Fujihara, and A.Nagasawa
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 52 Pages: 13375-13383
- DOI
  10.1021/ic401673z
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23510115, KAKENHI-PROJECT-24550008
[Journal Article] Application of ring-polymer molecular dynamics to electronically nonadiabatic excess electron dynamics in water clusters: importance of nuclear quantum effects2013
- Author(s)
  T. Yoshikawa, T. Takayanagi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 564 Pages: 1-5
- DOI
  10.1016/j.cplett.2013.02.027
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Ab initio prediction of vibrational states of the HeCuF helium-containing complex2013
- Author(s)
  T. Tanaka, et. al.
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 539-540 Pages: 15-18
- DOI
  10.1016/j.cplett.2012.05.019
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-12J40130, KAKENHI-PROJECT-24550008
[Journal Article] Real Wave Packet and Flux Analysis Studies of the H + F2 -> HF + F Reaction2012
- Author(s)
  F. Gogtas, E. Karabulut, T. Takayanagi, T. Tanaka, R. Tutuk
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 112 Pages: 2348-2354
- DOI
  10.1002/qua.23213
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Quantum tautomerization in porphycene and its isotopomers : Path-integral molecular dynamics simulations2012
- Author(s)
  T. Yoshikawa, S. Sugawara, T. Takayanagi, M. Shiga, M. Tachikawa
- Journal Title
  
  Chem. Phys
  
  Volume: 394 Pages: 46-51
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Rare gas bond property of Rg-Be2O2 and Rg-Be2O2-Rg (Rg = He, Ne, Ar, Kr and Xe) as a comparison with Rg-BeO2012
- Author(s)
  Takanori Kobayashi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 991 Pages: 48-55
- DOI
  10.1016/j.comptc.2012.03.020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23655005, KAKENHI-PROJECT-24550008
[Journal Article] Quantum tautomerization in porphycene and its isotopomers : Path-integral molecular dynamics simulations2012
- Author(s)
  T.Yoshikawa, S.Sugawara, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Chemical Physics
  
  Volume: 394 Pages: 46-51
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22017002
[Journal Article] Quantum-thermal crossover of hydrogen and tritium diffusion in ct-iron2012
- Author(s)
  T. Yoshikawa, T. Takayanagi, H. Kimizuka, M. Shiga
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 116 Pages: 23113-23119
- DOI
  10.1021/jp307660e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008, KAKENHI-PROJECT-24686072
[Journal Article] A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory2012
- Author(s)
  Y. Sugioka, T. Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 405 Pages: 189-196
- DOI
  10.1016/j.chemphys.2012.08.002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550008
[Journal Article] Quantum tautomerization in porphycene and its isotopomers : Path-integral molecular dynamics simulations2012
- Author(s)
  T.Yoshikawa, S.Sugawara, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Chem.Phys.
  
  Volume: 394 Pages: 46-51
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Real Wave Packet and Flux Analysis Studies of the H+F_2->HF+F Reaction"2012
- Author(s)
  F.Gogtas, E.Karabulut, T.Takayanagi, T.Tanaka, R.Tutuk
- Journal Title
  
  Int.J.Quantum.Chem.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H_2O)_4 cluster with path-integral molecular dynamics simulations.2011
- Author(s)
  S.Sugawara, T.Yoshikawa, T.Takayanagi, M.Tachikawa
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 501 Pages: 238-244
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H_2O)_4 cluster with path-integral molecular dynamics simulations2011
- Author(s)
  S.Sugawara, T.Yoshikawa, T.Takayanagi, M.Tachikawa
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 501 Pages: 238-244
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Electronic structure calculation study of metal complexes with a phytosiderophore mugineic acid2011
- Author(s)
  M.Kato, S.Izuka, T.Fujihara, A.Nagasawa, S.Kawai, T.Tanaka, T.Takayanagi
- Journal Title
  
  Inorganic Chimica Acta.
  
  Volume: 370 Pages: 304-311
- DOI
  10.1016/j.ica.2011.01.091
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H_2O)_4 cluster with path-integral molecular dynamics simulations2011
- Author(s)
  S. Sugawara, T. Yoshikawa, T. Takayanagi, M. Tachikawa
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 501 Pages: 238-244
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Roaming dynamics in the MgH+H→Mg+H_2 reaction : Quantum dynamics calculations2011
- Author(s)
  T.Takayanagi, T.Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Pages: 130-135
- DOI
  10.1016/j.cplett.2011.02.002
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Quantum proton transfer in hydrated sulfuric acid clusters : A perspective from semi empirical path integral simulations2011
- Author(s)
  S. Sugawara, T. Yoshikawa, T. Takayanagi, M. Shiga, M. Tachikawa
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 115 Pages: 11486-11494
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Roaming dynamics in the MgH + H -> Mg + H_2 reaction : Quantum dynamics calculations2011
- Author(s)
  T.Takayanagi, T.Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 504 Pages: 130-135
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22017002
[Journal Article] Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H_2O)_4 cluster with path-integral molecular dynamics simulations2011
- Author(s)
  S.Sugawara, T.Yoshikawa, T.Takayanagi, M.Tachikawa
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 501 Pages: 238-244
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Quantum Proton Transfer in Hydrated Sulfuric Acid Clusters : A Perspective from Semiempirical Path Integral Simulations2011
- Author(s)
  S.Sugawara, T.Yoshikawa, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  J.Phys.Chem.A.
  
  Volume: 115 Pages: 11486-11494
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Quantum proton transfer in hydrated sulfuric acid clusters : A perspective from semiempirical path integral simulations2011
- Author(s)
  S.Sugawara, T.Yoshikawa, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 115 Pages: 11486-11494
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22017002
[Journal Article] Quantum dynamics study of the X+F_2 and F+XF (X=Mu, H, and D) reactions2011
- Author(s)
  T.Tanaka, T.Takayanagi
- Journal Title
  
  Chemical Physics
  
  Volume: 390 Pages: 60-67
- DOI
  10.1016/j.chemphys.2011.10.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Electronic structure computational study of H and Mu addition to C=S double bonds2011
- Author(s)
  T.Kobayashi, K.Seki, T.Tanaka, T.Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 963 Pages: 256-262
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22017002
[Journal Article] Electronic structure computational study of H and Mu addition to C=S double bonds2011
- Author(s)
  T.Kobayashi, K.Seki, T.Tanaka, T.Takayanagi
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 963 Pages: 256-262
- DOI
  10.1016/j.comptc.2010.11.022
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005, KAKENHI-PROJECT-23655005
[Journal Article] Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations2010
- Author(s)
  T.Yoshikawa, S.Sugawara, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 496 Pages: 14-19
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] High-level ab initio electronic structure calculations of R_gBe_2O_2 and R_gBe_2O_2R_g (R_g=He, Ne, Ar, Kr and Xe) complexes2010
- Author(s)
  T.Kobayashi, K.Seki, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 498 Pages: 235-239
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations.2010
- Author(s)
  T.Yoshikawa, S.Sugawara, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Chem.Phys.Lett.
  
  Volume: 496 Pages: 14-19
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22018024
[Journal Article] Theoretical study on the mechanism of double proton transfer in porphycene by path-integral molecular dynamics simulations2010
- Author(s)
  T. Yoshikawa, S. Sugawara, T. Takayanagi, M. Shiga, M. Tachikawa
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 496 Pages: 14-19
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on the excess electron binding mechanism in the [CH_3NO_2・(H_2O)_n]^-(n=1-6) anion clusters2010
- Author(s)
  H.Motegi, T.Takayanagi, T.Tsuneda, K.Yagi, R.Nakanishi, T.Nagata
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 114 Pages: 8939-8947
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Quantum reactive scattering calculations of H + F_2 and Mu + F_2 reactions on a new ab initio potential energy surface2010
- Author(s)
  T.Tanaka, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 496 Pages: 248-253
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-22017002
[Journal Article] Theoretical study on the excess electron binding mechanism in the [CH_3NO_2・(H_2O)_n]. (n=1-6) anion clusters2010
- Author(s)
  H. Motegi, T. Takayanagi, T. Tsuneda, K. Yagi, R. Nakanishi, T. Nagata
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 114 Pages: 8939-8947
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Linkage isomerism of pentaammine(dimethylsulfoxide)ruthenium(II/III)complexes : a theoretical study2009
- Author(s)
  M, Kato, T. Takayanagi, T. Fujihawa, A. Nagasawa
- Journal Title
  
  Inorganica Chimica Acta 362
  
  Pages: 1199-1203
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Path-integral molecular dynamics simulations of small hydrated sulfuric acid culsters H_2SO_4(H_2O)_n (n=1-6) on semiempirical PM6 potential surfaces2009
- Author(s)
  A.Kakizaki, H.Motegi, T.Yoshikawa, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Journal of Molecular Structure THEOCHEM 901
  
  Pages: 1-8
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on the mechanism of low-energy dissociative electron attachment for uracil2009
- Author(s)
  T.Takayanagi, T.Asakura, H.Motegi
- Journal Title
  
  Journal of Physical Chemistry A 113
  
  Pages: 4795-4801
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Theoretical study on the mechanism of low-energy dissociative electron attachment for uracil2009
- Author(s)
  T. Takayanagi, T. Asakura, H. Motegi
- Journal Title
  
  J. Phys. Chem. A
  
  Volume: 113 Pages: 4795-4801
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H_2O)_4 on a semi empirical potential energy surface2009
- Author(s)
  T. Takayanagi, K. Takahashi, A. Kakizaki, M. Shiga, M. Tachikawa
- Journal Title
  
  Chem. Phys
  
  Volume: 358 Pages: 196-202
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Path-integral molecular dynamics simulations of water anion clusters(H_2O)^-_5 and(D_2O)^-_52009
- Author(s)
  T.Takayanagi, T.Yoshikawa, H.Motegi, M.Shiga
- Journal Title
  
  Chemical Physics Letters 482
  
  Pages: 195-200
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Path-integral molecular dynamics simulations of glycine.(H_2O)_n (n=1.7) clusters on semiempirical PM6 potential energy surfaces2009
- Author(s)
  T. Yoshikawa, H. Motegi, A. Kakizaki, T. Takayanagi, M. Shiga, M. Tachikawa
- Journal Title
  
  Chem. Phys
  
  Volume: 365 Pages: 60-68
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Path-integral molecular dynamics simulations of glycine-(H_2O)_n (n=1-7)clusters on semiempirical PM6 potential energy surfaces2009
- Author(s)
  T.Yoshikawa, H.Motegi, A.Kakizaki, T.Takayanagi, M.Shiga, M.Tachikawa
- Journal Title
  
  Chemical Physics 365
  
  Pages: 60-68
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H_2O)_4 on a semiempirical potential energy surface2009
- Author(s)
  T.Takayanagi, K.Takahashi, A.Kakizaki, M.Shiga, M.Tachikawa
- Journal Title
  
  Chemical Physics 358
  
  Pages: 196-202
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on the transformation mechanism between dipole-bound and valence-bound anion states of small uracil-water clusters and their photoelectron spectra2009
- Author(s)
  H.Motegi, T.Takayanagi
- Journal Title
  
  Journal of Molecular Structure THEOCHEM 907
  
  Pages: 85-92
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Path-integral molecular dynamics simulations for water anion clusters (H_2O)_5. and (D_2O)_52009
- Author(s)
  T. Takayanagi, T. Yoshikawa, H. Motegi, M. Shiga
- Journal Title
  
  Chem. Phys. Lett
  
  Volume: 482 Pages: 195-200
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Theoretical study on the transformation mechanism between dipole-bound and valence-bound anion states of small uracil-water clusters and their photoelectron spectra2009
- Author(s)
  H. Motegi, T. Takayanagi
- Journal Title
  
  J. Mol. Struct.(THEOCHEM)
  
  Volume: 907 Pages: 85-92
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21550005
[Journal Article] Molecular dynamics simulations of small glycine-(H20)_n(n=2-7)clusters on semiempirical PM6 potential energy surfaces2008
- Author(s)
  T. Takayanagi, T. Yoshikawa, A. Kakizaki, M. Shiga, M. Tachikawa
- Journal Title
  
  Journal of Molecular Structure THEOCHEM 869
  
  Pages: 29-36
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Path-integral molecular dynamics simulations of BeO embedded in helium clusters: Formation of the stable HeBeO complex2008
- Author(s)
  H. Motegi, A. Kakizaki, T. Takayanagi, Y. Taketsugu, T. Taketsugu, M. Shiga
- Journal Title
  
  Chemical Physics 354
  
  Pages: 38-32
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20038011
[Journal Article] Reduced-dimensionality and direct trajectory calculations for the C(^3P_J)+NH_2(^2B_1)reaction2006
- Author(s)
  T.Takayanagi, T.Teketsugu
- Journal Title
  
  Chemical Physics Letters 417
  
  Pages: 143-148
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Theoretical study on HNC(^1Σ) production from the C_2(X^1Σ_g^8)+NH(X^3Σ^-) reaction2006
- Author(s)
  K.Takahashi, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 429
  
  Pages: 399-399
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Dynamical calculations of charge-transfer-to-solvent excited states of small I^-(CH_3CN)_n cluster2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  Journal of Physical Chemistry A 110
  
  Pages: 7011-7018
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Direct dynamics simulations of photoexcited charge-transfer-to solvent states of the I^-(H_2O)_6 cluster2006
- Author(s)
  T.Takayanagi, K.Takahashi
- Journal Title
  
  Chemical Physics Letters 431
  
  Pages: 28-33
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Reduced-dimensionality and direct trajectory calculations for the C(^3P_J)+NH_2(^2B_1) reaction2006
- Author(s)
  T.Takayanagi, T.Teketsugu
- Journal Title
  
  Chemical Physics Letters 417
  
  Pages: 143-143
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Reduced-dimensionality and direct trajectory calculations for the C(^3P_j) + NH_2(^2B_1) reaction2006
- Author(s)
  T.Takayanagi, T.Teketsugu
- Journal Title
  
  Chemical Physics Letters 417
  
  Pages: 143-143
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Quantum dynamics study on the product branching for the C(^3P)+C_2H_2 reaction : cyclic-C_3H versus linear-C_3H2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  The Journal of Physical Chemistry A 110
  
  Pages: 361-361
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Direct dynamics simulations of photoexcited charge-transfer-to-solvent states of the I^-(H_2O)_6 cluster2006
- Author(s)
  T.Takayanagi, K.Takahashi
- Journal Title
  
  Chemical Physics Letters 431
  
  Pages: 28-28
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Quantum dynamics study on the product branching for the C(^3P)+C_2H_2 reaction : cyclic-C_3H versus linear-C_3H2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  Journal of Physical Chemistry A 110
  
  Pages: 361-366
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Quantum dynamics study on the product branching for the C(^3P) + C_2H_2 reaction : cyclic-C_3H versus linear-C_3H2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  The Journal of Physical Chemistry A 110
  
  Pages: 361-361
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] ESR study of H_6^+ and H_4D_2^+ produced in irradiated solid hydrogens2006
- Author(s)
  T.Kumada, T.Takayanagi, J.Kumagai
- Journal Title
  
  Journal of Molecular Structure 786
  
  Pages: 133-133
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Theoretical study on HNC(^1Σ)production from the C_2(X^1Σ_g^+)+NH(X^3Σ^-)reaction2006
- Author(s)
  K.Takahashi, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 433
  
  Pages: 399-404
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] The effect of van der Waals resonances on reactive cross sections for the F + HD reaction2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 433
  
  Pages: 15-15
- NAID
  120006385544
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Theoretical study on HNC(^1Σ) production from the C_2(X^1Σ_g^+) + NH(X^3Σ^-) reaction2006
- Author(s)
  K.Takahashi, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 429
  
  Pages: 399-399
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Electronic structure calculations of acetonitrile cluster anions : Stabilization mechanism of molecular anions by solvation2006
- Author(s)
  T.Takayanagi, T.Hoshino, K.Takahashi
- Journal Title
  
  Chemical Physics 324
  
  Pages: 679-679
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] The effect of van der Waals resonances on reactive cross sections for the F+HD reaction2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 433
  
  Pages: 15-18
- NAID
  120006385544
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Dynamical calculations of charge-transfer-to-solvent excited states of small I^-(CH_3CN)_n clusters2006
- Author(s)
  T.Takayanagi
- Journal Title
  
  The Journal of Physical Chemistry A 110
  
  Pages: 7011-7011
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Reduced-dimensionality quantum reactive scattering calculations of the C(^3P) + C_2H_2 reaction on a new potential energy surface2005
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics 312
  
  Pages: 61-61
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] A modified version of the analytical potential function for the global ab initio ground-state potential energy surface of the BrH_2 system2005
- Author(s)
  Y.Kurosaki, T.Takayanagi
- Journal Title
  
  Chemical Physics Letters 406
  
  Pages: 121-121
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Ab initio study of small acetonitrile cluster anions2005
- Author(s)
  T.Takayanagi
- Journal Title
  
  The Journal of Chemical Physics 122
  
  Pages: 244307-244307
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Ab initio study of small acetonitrille cluster anions2005
- Author(s)
  T.Takayanagi
- Journal Title
  
  The Journal of Chemical Physics 122
  
  Pages: 244307-244307
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Ab initio study of small acetonitrile cluster anions2005
- Author(s)
  T.Takayanagi
- Journal Title
  
  Journal of Chemical Physics 122,244307
  
  Pages: 8-8
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Reduced-dimensionality quantum reactive scattering calculations of the C(^3P)+C_2H_2 reaction on a new potential energy surface2005
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics 312
  
  Pages: 61-67
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Theoretical study of the H+Br_2 and Mu+Br_2 reactions : A new ab initio potential energy surface and quantum dynamics calculations
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics (in press)
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Journal Article] Theoretical study of the H + Br_2 and Mu + Br_2 reactions : A new abinitio potential energy surface and quantum dynamics calculations
- Author(s)
  T.Takayanagi
- Journal Title
  
  Chemical Physics (in press)
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-17550007
[Presentation] Nonadiabatic quantum dynamics calculations for spin-inversion reactions [online presentation]2020
- Author(s)
  T. Takayanagi
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2020(ICCMSE 2020) (2020/4/29-5/3)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05365
[Presentation] スピン反転を含む反応経路の自動探索と量子ダイナミクス2020
- Author(s)
  高柳敏幸
- Organizer
  IQCE 量子化学探索講演会「量子化学で探る化学の最先端」(オンライン，2020/11/02)
- Invited
- Data Source
  KAKENHI-PROJECT-19K05365
[Presentation] Quantum simulations for real-time dynamics of pure and impurity-doped helium clusters at low temperature2019
- Author(s)
  T. Takayanagi
- Organizer
  102nd Canadian Chemistry Conference and Exhibition
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0093
[Presentation] Nonadiabatic quantum dynamics study of transition-state spectroscopy2019
- Author(s)
  T. Takayanagi
- Organizer
  International Conference on Theoretical and High Performance Computational Chemistry 2019 (ICT-HPCC19)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0093
[Presentation] Transition State Spectroscopy: Theoretical Analyses2019
- Author(s)
  T. Takayanagi
- Organizer
  2019 International Symposium on Quantum Effects in Chemistry and Biology
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0093
[Presentation] NaCl-(H2O)nクラスター中のイオン解離過程の反応座標：GRRM法の応用2018
- Author(s)
  高柳敏幸
- Organizer
  化学反応経路探索のニューフロンティア2018
- Invited
- Data Source
  KAKENHI-PROJECT-17KT0093
[Presentation] Quantum dynamics calculations of transition state spectra of gas-phase chemical reactions2018
- Author(s)
  T. Takayanagi
- Organizer
  nternational Conference on Computational Methods in Science and Engineering (ICCMSE) Thessaloniki (Greece)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0093
[Presentation] Theoretical analyses of transition state spectra of chemical reactions2017
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  BIT's 5th Annual Conference of AnalytiX-2017
- Place of Presentation
  ヒルトン福岡シーホーク(福岡県,福岡市)
- Year and Date
  2017-03-23
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Quantum Dynamics Simulations of Atoms and Molecules Embeded in Low-temperature Helium Clusters2017
- Author(s)
  T. Takayanagi
- Organizer
  BIT’s 1st Annual Conference of Quantum World (CQW2017) Changsha (China)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Frequency-domain and time-domain transition state spectroscopy of cyclooctatetraene2017
- Author(s)
  T. Takayanagi
- Organizer
  XIV International Workshop on Quantum Reactive Scattering, Trieste (Itaiy)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Theoretical analyses of transition state spectroscopy of chemical reactions:on the relation between transition state structure and quantum resonance2016
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  Resonance and Non-Hermitian Quantum Mechanics 2016
- Place of Presentation
  大阪大学(大阪府,吹田市)
- Year and Date
  2016-08-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Quantum transition state dynamics of the cyclooctatetraene unimolecular reacton on ab initio potential energy surfaces2016
- Author(s)
  Chihiro Tokizaki, Takahiko Yoshida Toshiyuki Takayanagi
- Organizer
  32nd Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  大宮ソニックシティ(埼玉県、さいたま市)
- Year and Date
  2016-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Quantum chemical calculations of electron attachment to isolated sugar molecules2016
- Author(s)
  Manami Kondo, Tomoki Fujita, Toshiyuki Takayanagi
- Organizer
  32nd Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  大宮ソニックシティ(埼玉県、さいたま市)
- Year and Date
  2016-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] "Quantum Transition State Dynamics of The Cyclooctatetraene Unimolecular Reaction2016
- Author(s)
  Chihiro Tokizaki, Takahiko Yoshida, Toshiyuki Takayanagi
- Organizer
  Stereodynamics2016
- Place of Presentation
  Academia Sinica, Taipei, Taiwan
- Year and Date
  2016-11-06
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] HDO分子の解離性電子付着過程におけるOH/OD結合解離の選択性についての理論研究2016
- Author(s)
  吉田崇彦, 高柳敏幸
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(兵庫県,神戸市)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Theoretical study for dissociative electron attachment to HOD and possibility of selective bond dissociation2016
- Author(s)
  Takahiko Yoshida, Toshiyuki Takayanagi
- Organizer
  Stereodynamics2016
- Place of Presentation
  Academia Sinica, Taipei, Taiwan
- Year and Date
  2016-11-06
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Ring-polymer molecular dynamics study of photoexcitation of silver atom in helium clusters2016
- Author(s)
  Yusuke Seki, Takahiko Yoshida, Toshiyuki Takayanagi
- Organizer
  32nd Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  大宮ソニックシティ(埼玉県、さいたま市)
- Year and Date
  2016-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Quantum dynamics study on bond-selected dissociative electron attachment of HDO2016
- Author(s)
  Takahiko Yoshida, Toshiyuki Takayanagi
- Organizer
  32nd Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  大宮ソニックシティ(埼玉県、さいたま市)
- Year and Date
  2016-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Quantum dynamics study on electron attachment to molecules and clusters2016
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  EMN Meeting on Computation and Theory Energy Materials Nanotechnology
- Place of Presentation
  Las Vegas,NV USA
- Year and Date
  2016-10-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Ring-Polymer Molecular Dynamics Study of Photoexcitation of the Silver Atom in Helium Clusters2016
- Author(s)
  Yusuke Seki, Takahiko Yoshida, Toshiyuki Takayanagi, Motoyuki Shiga
- Organizer
  Stereodynamics2016
- Place of Presentation
  Academia Sinica, Taipei, Taiwan
- Year and Date
  2016-11-06
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00932
[Presentation] Extreme quantum isotope effects in muonium/muon chemical reactions2015
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  EMN Meeting on Quantum Technology
- Place of Presentation
  Beijing, China
- Year and Date
  2015-04-14
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Nuclear quantum effects in tritium diffusion in α-iron2015
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  International workshop on Models and Data for Plasma-Material Interaction in Fusion Devices
- Place of Presentation
  Marseille, France
- Year and Date
  2015-05-25
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Quantum Molecular Dynamics Simulations of Excess Electron Attachment to Biomolecules2015
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  the 2nd DEA Club meeting
- Place of Presentation
  Mumbai, India
- Year and Date
  2015-11-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Semiclassical dynamics of electron attachment to guanine-cytosine base pair2015
- Author(s)
  Yusuke Minoshim, Tomohiro Honda, Yuki Yokoi, Toshiyuki Takayanagi, Motoyuki Shiga
- Organizer
  31st Symposium on Chemical Kinetics and Dynamics
- Place of Presentation
  Sapporo, Japan
- Year and Date
  2015-06-03
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Transition-state spectra of the X + HX/X + DX reactions and vibrational bonding of XMuX (X = Br, I)2015
- Author(s)
  Toshiyuki Takayanagi
- Organizer
  13th International Workshop on Quantum Reactive Scattering
- Place of Presentation
  Salamanca, Spain
- Year and Date
  2015-07-06
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K05375
[Presentation] Dynamics study of excess electron attachment to molecules and clusters2014
- Author(s)
  T. Takayanagi
- Organizer
  Telluride Winter Workshop on New Challenges for Theory in Chemical Dynamics
- Place of Presentation
  Telluride (Telluride Science Research Center), Colorado, USA
- Invited
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Theoretical study of electron attachment dynamics to DNA and its related molecules: importance of nuclear quantum effects2013
- Author(s)
  T. Takayanagi
- Organizer
  The XVII International Workshop on Low-Energy Positron and Positronium Physics (POSMOL 2013)
- Place of Presentation
  Kanazawa (Kanazawa Bunka Hall), Japan
- Invited
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Nuclear quantum effects in chemical reactions: from simple three-atom systems to complex systems2013
- Author(s)
  T. Takayanagi
- Organizer
  The 12th International Workshop on Quantum Reactive Scattering (QRS12)
- Place of Presentation
  Bordeaux (University of Bordeaux 1),France
- Invited
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Quantum dynamics simulation for non-adiabatic relaxation of hydrated electron2013
- Author(s)
  吉川武宏, 高柳敏幸
- Organizer
  第29回化学反応討論会
- Place of Presentation
  仙台(東北大学)
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] グアニン―シトシン塩基対アニオンにおけるプロトン移動ダイナミクスの理論的研究2013
- Author(s)
  杉岡雄仁, 高柳敏幸
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都(京都テルサ)
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Quantum simulations for double proton transfer processes2012
- Author(s)
  T. Yoshikawa, T. Takayanagi
- Organizer
  XVIIIth Symposium on Atomic, Cluster and Surface Physics 2012
- Place of Presentation
  Alpe d'Huez, France
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] α-Fe中での水素同位体の量子的拡散ダイナミクス2012
- Author(s)
  吉川武宏, 高柳敏幸, 君塚肇, 志賀基之
- Organizer
  第26回分子シミュレーション討論会
- Place of Presentation
  福岡 (九州大学)
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Theoretical study on the mechanisms of Hydrogen diffusion and isotope effects in Fe by path integral molecular dynamics simulations2012
- Author(s)
  吉川武宏,益子拓朗,菅原修一, 高柳敏幸, 志賀基之
- Organizer
  第28回化学反応討論会
- Place of Presentation
  福岡　(九州大学)
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Resonances in chemical reactions: theory and experiment2012
- Author(s)
  T. Takayanagi
- Organizer
  Resonances in non-Hermitian systems in quantum mechanics
- Place of Presentation
  京都　（京都大学）
- Invited
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Quantum dynamics study on muonium chemical reactions2012
- Author(s)
  T. Takayanagi, T. Tanaka, T. Kobayashi
- Organizer
  XVIIIth Symposium on Atomic, Cluster and Surface Physics 2012
- Place of Presentation
  Alpe d'Huez, France
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 低エネルギー電子付着による分子解離とアニオン生成:領域1シンポジウム(主題:放射線が生体に与える影響-原子分子から生物まで-)2012
- Author(s)
  高柳敏幸
- Organizer
  日本物理学会第67年次大会
- Place of Presentation
  兵庫(関西学院大学)
- Year and Date
  2012-03-24
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 低エネルギー電子付着による分子解離とアニオン生成2012
- Author(s)
  高柳敏幸
- Organizer
  日本物理学会第67年次大会
- Place of Presentation
  関西学院大学(西宮)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 多原子分子の全自由度を考慮した解離性電子付着断面積の計算方法の開発2012
- Author(s)
  杉岡雄仁, 高柳敏幸
- Organizer
  •第6回分子科学討論会
- Place of Presentation
  東京　(東京大学)
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Nuclear quantum effects in complex hydrogen-bonding systems2012
- Author(s)
  T. Takayanagi
- Organizer
  Advances in Quantum Chemistry: Interfacing Electronic Structure with Dynamics
- Place of Presentation
  Minneapolis, USA (Minnesota University)
- Invited
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] 経路積分計算によるプロトン移動反応の量子描像2011
- Author(s)
  高柳敏幸
- Organizer
  化学反応経路探索のニューフロンティア2011
- Place of Presentation
  北海道大学(札幌)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Theoretical study on the mechanism of double proton transfer and isotope effect in porphycene by path. integral molecular dynamics simulations2011
- Author(s)
  吉川武宏, 菅原修一, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第27回化学反応討論会
- Place of Presentation
  東京工業大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 電子衝突と分子アニオン2011
- Author(s)
  高柳敏幸
- Organizer
  原子衝突研究協会第36回年会
- Place of Presentation
  新潟大学(新潟)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 経路積分計算によるプロトン移動反応の量子描像2011
- Author(s)
  高柳敏幸
- Organizer
  化学反応経路探索のニューフロンティア2011
- Place of Presentation
  札幌(北海道大学)(招待講演)
- Year and Date
  2011-09-24
- Data Source
  KAKENHI-PUBLICLY-22017002
[Presentation] Quantum proton transfer in hydrated sulfuric acid clusters from path. integral molecular dynamics simulations2011
- Author(s)
  菅原修一, 吉川武宏, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第27回化学反応討論会
- Place of Presentation
  東京工業大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 水和された極性分子クラスター中の余剰電子の束縛機構2011
- Author(s)
  杉本美生, 茂木春樹, 高柳敏幸, 永田敬, 中西隆造
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(札幌)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum proton transfer in hydrated sulfuric acid clusters2011
- Author(s)
  菅原修一, 吉川武宏, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum tautomerization in porphycene and its istopomers : Path. integral molecular dynamics simulations2011
- Author(s)
  吉川武宏, 菅原修一, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Mu+F_2, FMu+F反応の理論研究2011
- Author(s)
  田中友和, 高柳敏幸
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(札幌)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Theoretical study on the mechanism of double proton transfer and isotope effect in porphycene by path-integral molecular dynamics simulations2011
- Author(s)
  吉川武宏、菅原修一、高柳敏幸、志賀基之、立川仁典
- Organizer
  第27回化学反応討論会
- Place of Presentation
  東京(東京工業大学)
- Year and Date
  2011-06-08
- Data Source
  KAKENHI-PUBLICLY-22017002
[Presentation] 電子衝突と分子アニオン2011
- Author(s)
  高柳敏幸
- Organizer
  原子衝突研究協会第36回年会
- Place of Presentation
  新潟(新潟大学)
- Year and Date
  2011-06-18
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] 星間におけるアミノ酸前駆体の合成経路の理論的研究2011
- Author(s)
  上野啓二, 高柳敏幸
- Organizer
  第5回分子科学討論会
- Place of Presentation
  札幌コンベンションセンター(札幌)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum dynamics calculations of FH+F and FMu+F reactions2011
- Author(s)
  田中友和, 高柳敏幸
- Organizer
  第27回化学反応討論会
- Place of Presentation
  東京工業大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum dynamics study of the MuFF reaction system2011
- Author(s)
  田中友和, 高柳敏幸
- Organizer
  7th Congress of the International Society for Theoretical Chemical Physics
- Place of Presentation
  早稲田大学(東京)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] ポルフィセンの二重プロトン移動に関する理論的研究2010
- Author(s)
  吉川武宏, 菅原修一, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪
- Year and Date
  2010-09-17
- Data Source
  KAKENHI-PUBLICLY-22017002
[Presentation] Current status and perspective of chemical reaction dynamics2010
- Author(s)
  高柳敏幸
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島大学(東広島)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum dynamics studies of molecules and clusters2010
- Author(s)
  T.Takayanagi
- Organizer
  XVIIth Symposium on Atomic, Cluster and Surface Physics 2010(SASP2010)
- Place of Presentation
  オーバーグルグル(オーストリア)
- Year and Date
  2010-01-29
- Data Source
  KAKENHI-PROJECT-20038011
[Presentation] Theoretical study of the H+F_2 and Mu+F_2 reactions2010
- Author(s)
  田中友和, 高柳敏幸
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島大学(東広島)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H_2O)_42010
- Author(s)
  菅原修一, 吉川武宏, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島大学(東広島)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Nuclear quantum effects in heliun complex and uracil anion2010
- Author(s)
  T.Takayanagi
- Organizer
  The 69th Okazaki Conference on"New Frontiers in Quantum Chemical Dynamics
- Place of Presentation
  岡崎
- Year and Date
  2010-02-23
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] ポルフィセンの二重プロトン移動に関する理論的研究2010
- Author(s)
  吉川武宏, 菅原修一, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第4回分子科学討論会
- Place of Presentation
  大阪大学(吹田)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Path.-integral molecular dynamics simulations of porphycene on semiempirical PM6 potential energy surfaces2010
- Author(s)
  吉川武宏, 菅原修一, 高柳敏幸, 志賀基之, 立川仁典
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島大学(東広島)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Quantum dynamics studies of molecules and clusters2010
- Author(s)
  T. Takayanagi
- Organizer
  XVIIth Symposium on Atomic, Cluster and Surface Physics 2010
- Place of Presentation
  Obergurgl(Innsbruck), Austria
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Nuclear quantum effects in helium complex and uracil anion2010
- Author(s)
  T. Takayanagi
- Organizer
  The 69th Okazaki Conference on New Frontier in Quantum Chemical Dynamics
- Place of Presentation
  IMS(Okazaki), Japan
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Current status and perspective of chemical reaction dynamics2010
- Author(s)
  高柳敏幸
- Organizer
  第26回化学反応討論会
- Place of Presentation
  広島
- Year and Date
  2010-06-04
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Theoretical study of uracil anion2009
- Author(s)
  茂木春樹, 朝倉智子, 高柳敏幸
- Organizer
  第25回化学反応討論会
- Place of Presentation
  大宮ソニックシティー(さいたま)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Theoretical study of stable helium complex HeBeO2009
- Author(s)
  茂木春樹, 柿崎陽, 高柳敏幸, 武次ゆり子, 武次徹也, 志賀基之
- Organizer
  第25回化学反応討論会
- Place of Presentation
  大宮ソニックシティー(さいたま)
- Data Source
  KAKENHI-PROJECT-21550005
[Presentation] Theoretical Study of Charge-Transfer-to-Solvent Dynamics of I_-M_n Anion Clusters2008
- Author(s)
  T. Takayanagi
- Organizer
  The 2nd International Symposium on Molecular Theory of Real Systems
- Place of Presentation
  岡崎市(岡崎コンファレンスセンター)
- Year and Date
  2008-08-04
- Data Source
  KAKENHI-PROJECT-20038011
[Presentation] (HNS)系ポテンシャルエネルギー曲面の作成とNS生成機構の反応動力学
- Author(s)
  佐藤和宇眞、高柳敏幸
- Organizer
  第8回分子化学討論会
- Place of Presentation
  広島大学(広島県・東広島市)
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] N(4S, 2D) + CH3(2A2") 反応におけるスピン禁制過程とローミング過程の理論的研究
- Author(s)
  千葉幸枝、吉田風花、近藤麻奈美、高柳敏幸
- Organizer
  第8回分子化学討論会
- Place of Presentation
  広島大学(広島県・東広島市)
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-24550008
[Presentation] Quantum localization of muonium in the glycine-K+ complex
- Author(s)
  本田知大、吉川武宏、高柳敏幸
- Organizer
  第30回化学反応討論会
- Place of Presentation
  イーグレ姫路(兵庫県・姫路市)
- Year and Date
  2014-06-04 – 2014-06-06
- Data Source
  KAKENHI-PROJECT-24550008

1. 高口博志 (40311188)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 志賀基之 (40370407)

# of Collaborated Projects: 2 results

# of Collaborated Products: 9 results
3. 鈴木俊法 (10192618)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 南部伸孝 (00249955)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 西澤潔 (50280730)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 青柳睦 (00260026)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 立川仁典 (00267410)

# of Collaborated Projects: 1 results

# of Collaborated Products: 15 results
8. 北幸海 (40453047)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
9. 相川祐理 (40324909)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 古家健次 (80783711)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 山崎祥平 (90570177)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 花輪知幸 (50172953)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 吉田直紀 (90377961)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. 渡部直樹 (50271531)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. 大下慶次郎

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. KIMIZUKA Hajime

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
17. 藤原隆司

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 長谷川淳也

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
19. 宇田川太郎

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
20. 關金一

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

TAKAYANAGI Toshiyuki 高柳 敏幸

高柳 敏幸 タカヤナギ トシユキ

Research Projects

Research Products

Co-Researchers

Development of automated path search methods for reactions including spin-inversionPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical astrochemistry based on microscopic processes in the gas and solid phases

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of positron chemical reaction theory for biomoleculesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical study for the observation of transition state of chemical reactionPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Theoretical study on hydrogen catalysis mechanisms in interstellar molecular evolutionPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of all-atom condensed-phase reaction dynamics theory with quantum mechanicsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Deeping of molecular-level understanding of biological damage mechanisms by low-energy electronsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

核の量子性を考慮したトリチウム化学反応過程の理論的研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

量子・熱ゆらぎを考慮した生体分子高次系クラスターの理論的解明

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of the first-principles simulation method for biomolecular damage by low-energy electronsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

溶媒和電子ダイナミクスの理論研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical study of chemical reactions of neutral molecules in interstellar spacePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

交差分子線散乱実験による励起酸素原子O(1D)反応の解明

Principal Investigator

Project Period (FY)

TAKAYANAGI Toshiyuki 高柳敏幸

高柳敏幸タカヤナギトシユキ