Reaction dynamics of nano- and bio-molecules with multiple reaction sites and its atom-resolved energy picture

• Project/Area Number: 16H04091
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Tohoku University
• Principal Investigator: Kono Hirohiko 東北大学, 理学研究科, 客員研究者 (70178226)
• Co-Investigator(Kenkyū-buntansha): 小関 史朗 大阪府立大学, 理学(系)研究科(研究院), 教授 (80252328)
• Project Period (FY): 2016-04-01 – 2019-03-31
• Project Status: Completed (Fiscal Year 2019)
• Budget Amount: ¥15,860,000 (Direct Cost: ¥12,200,000、Indirect Cost: ¥3,660,000); Fiscal Year 2018: ¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000); Fiscal Year 2017: ¥6,500,000 (Direct Cost: ¥5,000,000、Indirect Cost: ¥1,500,000); Fiscal Year 2016: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
• Keywords: 多電子ダイナミクス / １電子有効ポテンシャル / 強レーザーパルス / 非断熱遷移 / ヒドロキシルラジカル / DNA鎖切断 / 光駆動分子モーター / クーロン爆発 / 1電子有効ポテンシャル / X線自由電子レーザー / 電子ダイナミクス / ポリヒドロキシフラーレン / クーロン爆発イメージング / 分子モーター / 原子分割エネルギー / 自然軌道 / 分子イメージング / 高次高調波発生

Outline of Final Research Achievements

We developed the atom-resolved method for energy and the nonadiabatic surface hopping method suitable for large systems to deeply investigate the reaction dynamics of nano- and bio-molecules. The methods are applied to simulate the dynamics of DNA damage. We found the mechanism of a double strand break: Dense, high energy OH radicals generated by radiation or light penetrate the water barrier around a DNA and cause a cluster of single strand breaks via H-abstraction from pentose moieties (leading to P-O skeletal breaks). We also clarified the dynamics of the light-transformation of OH-functionalized fullerenes into nanocarbons and ultrafast trans-cis isomerization of a light-driven molecular motor. For electron dynamics, using the multiconfiguration time-dependent method, we revealed that a hump structure due to electron correlation is formed on the top of the field-induced distorted barrier, which provides a new picture of tunnel ionization beyond the single-electron approximation.

Academic Significance and Societal Importance of the Research Achievements

ラジカルによるDNAの2本鎖切断の理論的解明により、現在、実験グループと鎖切断のみならず塩基酸化などDNA損傷の全貌解明のための共同研究が進展している。強レーザー場化学、DNA損傷の定性・定量解析、損傷検出化学プローブの設計・合成、反応動力学理論の4チームが連携し、遺伝子の損傷・修復・複製の分子論構築を目指している。また、XFELパルスによる分子のクーロン爆発のシミュレーションを行い、実験で得られた解離イオンのエネルギーや角度相関から、反応中の分子構造を抽出するイメージング理論も構築した。以上、本理論研究は、観測された動力学過程の機構解明のみならず、さらなる実験立案を導く成果をもたらした。

Research Products

• [Int'l Joint Research] Ludwig-Maximilians-Universitaet Munich/Max Planck Institute of Quantum Optics/Universitaet Heidelberg(ドイツ)
• [Int'l Joint Research] The Ohio State University/Kansas State University(米国)
• [Int'l Joint Research] University of Turku(フィンランド)
• [Int'l Joint Research] Universite Claude Bernard Lyon 1/Synchrotron SOLEIL(フランス)
• [Int'l Joint Research] National Tsing Hua University/National Chiao Tung University(中国)
• [Int'l Joint Research]
• [Journal Article] Analysis of the multielectron dynamics in intense laser-induced ionization of CO by the time-dependent effective potentials for natural orbitals" (2020)
  • Author(s): S.Ohmura, T.Kato, H.Ohmura, S.Koseki, H.Kono
  • Journal Title: J.Phys.B Volume: -
  • Peer Reviewed / Open Access
• [Journal Article] Diffractive Imaging of C60 Structural Deformations Induced by Intense Femtosecond Midinfrared Laser Fields (2019)
  • Author(s): H. Fuest, Y. H. Lai, C. I. Blaga, K. Suzuki, J. Xu, P. Rupp, H. Li, P. Wnuk, P. Agostini, K. Yamazaki, M. Kanno, H. Kono, M. F. Kling, and L. F. DiMauro
  • Journal Title: Physical Review Letters Volume: 122 Issue: 5
  • DOI: 10.1103/physrevlett.122.053002
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Visible Photodissociation of the CO2 Dimer Cation: Fast and Slow Dissociation Dynamics in the Excited State (2019)
  • Author(s): Y. Nakashima, K. Okutsu, K. Fujimoto, Y. Ito, M. Kanno, M. Nakano, K. Ohshimo, H. Kono, F. Misaizu
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 21 Issue: 6 Pages: 3083-3091
  • DOI: 10.1039/c8cp07068g
  • Peer Reviewed / Open Access
• [Journal Article] Real-time observation of X-ray-induced intramolecular and interatomic electronic decay in CH2I2 (2019)
  • Author(s): Fukuzawa Hironobu、Takanashi Tsukasa、Kukk Edwin、Motomura Koji、Wada Shin-ichi、Nagaya Kiyonobu、Ito Yuta、Nishiyama Toshiyuki、Christophe Nicolas 6, Yoshiaki Kumagai、Iablonskyi Denys、Mondal Subhendu、Tachibana Tetsuya、You Daehyun、Yamada Syuhei、Sakakibara Yuta、Asa Kazuki、Sato Yuhiro、Sakai Tsukasa、et al.
  • Journal Title: Nature Communications Volume: － Issue: 1 Pages: 2186-2186
  • DOI: 10.1038/s41467-019-10060-z
  • NAID: 120006634627
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Capturing the photo-induced dynamics of nano-molecules by X-ray free electron laser induced Coulomb explosion (2019)
  • Author(s): Kaoru Yamazaki, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono
  • Journal Title: The Journal of Chemical Physics Volume: 151 Issue: 12 Pages: 124305-124305
  • DOI: 10.1063/1.5115072
  • Peer Reviewed / Open Access
• [Journal Article] 複雑系に有効な非断熱分子動力学計算法の開発と分子モーター光異性化反応への適用 (2019)
  • Author(s): 菅野 学, 高橋みなみ, 花崎 浩太, 原田 宣之, 河野裕彦
  • Journal Title: SENAC Volume: 52
  • NAID: 120006778410
  • Open Access
• [Journal Article] E = hvの呪縛を解く高強度レーザー場の化学 (2019)
  • Author(s): 河野裕彦
  • Journal Title: 量子の世界 Volume: 10 Pages: 1-5
  • Open Access
• [Journal Article] Automatic spatial extension of a time-dependent wavefunction expanded in terms of Gaussians: Application to multidimensional tunneling (2018)
  • Author(s): Yuta Arai, Kazuma Suzuki, Manabu Kanno, Hirohiko Kono
  • Journal Title: Chemical Physics Letters Volume: 708 Pages: 170-176
  • DOI: 10.1016/j.cplett.2018.07.022
  • Peer Reviewed / Open Access
• [Journal Article] "Ultrafast nonradiative transition pathways in photo-excited pyrazine: Ab initio analysis of time-resolved vacuum ultraviolet photoelectron spectrum" (2018)
  • Author(s): Benoit Mignolet, Manabu Kanno, Noriyuki Shimakura, Shiro Koseki, Francoise Remacle, Hirohiko Kono, Yuichi Fujimura"
  • Journal Title: Chem. Phys. Volume: 515 Pages: 704-709
  • DOI: 10.1016/j.chemphys.2018.07.015
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Pulse shape and molecular orientation determine the attosecond charge migration in Caffeine (2018)
  • Author(s): Thomas A. Niehaus, Mehdi Meziane, Franck Lepine, Alexandre Marciniak, Kaoru Yamazaki, and Hirohiko Kono
  • Journal Title: The European Physical Journal B Volume: 91 Issue: 7
  • DOI: 10.1140/epjb/e2018-90223-5
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Laser-Control of Ultrafast π-Electron Ring Currents in Aromatic Molecules: Roles of Molecular Symmetry and Light Polarization (2018)
  • Author(s): Manabu Kanno, Hirohiko Kono, Yuichi Fujimura
  • Journal Title: Applied Sciences Volume: 8 Issue: 12 Pages: 2347-2347
  • DOI: 10.3390/app8122347
  • Peer Reviewed / Open Access
• [Journal Article] An efficient approximate algorithm for nonadiabatic molecular dynamics (2018)
  • Author(s): Kota Hanasaki, Manabu Kanno, Thomas A. Niehaus, Hirohiko Kono
  • Journal Title: The Journal of Chemical Physics Volume: 149 Issue: 24 Pages: 244117-244117
  • DOI: 10.1063/1.5046757
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Unbiased rotational motions of an ellipsoidal guest in a tight yet pliable host (2018)
  • Author(s): Sun, Z.; Mio, T; Okada, T.; Matsuno, T.; Sato, S.; Kono, H.; Isobe, H.
  • Journal Title: Angew. Chem. Int. Ed. Volume: 58 Issue: 7 Pages: 2040-2044
  • DOI: 10.1002/anie.201812771
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] XFELによる内殻イオン化と超高速電子・エネルギー移動の動力学理論 Core-ionization by XFEL and theory of ultrafast dynamics of energy and charge transfer (2018)
  • Author(s): 河野裕彦，菅野学，中村公亮，花崎浩太，及川啓太，岡田朝彦，落合宏平
  • Journal Title: センターレポート（自然科学研究機構 岡崎共通研究施設 計算科学研究センター） Volume: 18 Pages: 185-188
  • Open Access
• [Journal Article] X 線自由電子レーザーによる分子の超高速崩壊の シミュレーションモデル (2018)
  • Author(s): 中村公亮，落合宏平，花崎浩太，菅野 学，山崎 馨， 高梨 司，福澤宏宣，上田 潔，永谷清信，河野裕彦
  • Journal Title: SENAC Volume: 51
  • NAID: 120006579559
  • Open Access
• [Journal Article] Magnetism-tuning strategies for graphene oxide based on magnetic oligoacene oxide patches model (2018)
  • Author(s): Yanjie Wen, Chia-Liang Yen, Linyin Yan, Hirohiko Kono, Sheng-Hsien Lind, Yong-Chien Ling
  • Journal Title: Physical Chemistry Chemical Physics Volume: 20 Issue: 5 Pages: 3678-3686
  • DOI: 10.1039/c7cp06405e
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] A single-electron picture based on the multiconfiguration time-dependent Hartree?Fock method: application to the anisotropic ionization and subsequent high-harmonic generation of the CO molecule (2018)
  • Author(s): S. Ohmura, T. Kato, T. Oyamada, S. Koseki, H. Ohmura, H. Kono
  • Journal Title: Journal of Physics B: Atomic, Molecular and Optical Physics Volume: 51 Issue: 3 Pages: 034001-034001
  • DOI: 10.1088/1361-6455/aa9e45
  • Peer Reviewed
• [Journal Article] DFTB法のナノ・バイオ分子動力学への応用 (2018)
  • Author(s): 菅野 学，花崎 浩太， 山崎 薫， Tomas A， Niehaus, 河野 裕彦
  • Journal Title: 分子シミュレーション研究会会誌”アンサンブル” Volume: 81 Pages: 24-32
  • NAID: 130007649494
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Ultrafast Coulomb explosion of a diiodomethane molecule induced by an X-ray free-electron laser pulse (2017)
  • Author(s): Tsukasa Takanashi, Kosuke Nakamura, Edwin Kukk, Koji Motomura, Hironobu Fukuzawa, Kiyonobu Nagaya, (他28名), Hirohiko Kono, Kiyoshi Ueda
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 19 Issue: 30 Pages: 19707-19721
  • DOI: 10.1039/c7cp01669g
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] A Crystalline Molecular Gyrotop with a Biphenylene Dirotor and its Temperature Dependent Birefringence (2017)
  • Author(s): A. Fujiwara, Y. Inagaki, H. Momma, E. Kwon, K. Yamaguchi, M. Kanno, H. Kono, and W. Setaka
  • Journal Title: Cryst. Eng. Comm. Volume: 19 Issue: 40 Pages: 6049-6056
  • DOI: 10.1039/c7ce01081h
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Selective bond breaking of CO2 in phase-locked two-color intense laser fields: Laser field intensity dependence (2017)
  • Author(s): T. Endo, H. Fujise, Y. Kawachi, A. Ishihara, A. Matsuda, M. Fushitani, H. Kono, and A. Hishikawa
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 19 Issue: 5 Pages: 3550-3556
  • DOI: 10.1039/c6cp07471e
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] DNA 鎖切断の反応動力学シミュレーションと AVS/Express を用いた三次元可視化 (2017)
  • Author(s): 菱沼 直樹，及川 啓太，岡田 朝彦，菅野 学，山崎 馨， Wilfredo Credo Chung，齋藤 敦子，河野 裕彦
  • Journal Title: 東北大学サイバーサイエンスセンター 大規模科学計算システム 広報 （SENAC） Volume: 50
  • NAID: 120006576641
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Ultrafast dynamics of a nucleobase analogue illuminated by an ultrashort intense X-ray pulse of SACLA (2017)
  • Author(s): Kiyonobu Nagaya, Hirohiko Kono and Kiyoshi Ueda
  • Journal Title: SPring-8/SACLA Research Frontiers Volume: - Pages: 84-85
  • Peer Reviewed
• [Journal Article] Single-active-electron analysis of laser-polarization effects on atomic/molecular multiphoton excitation (2017)
  • Author(s): Manabu Kanno, Nobuyoshi Inada, Hirohiko Kono
  • Journal Title: The Journal of Chemical Physics Volume: 147 Issue: 15
  • DOI: 10.1063/1.4994876
  • Peer Reviewed
• [Journal Article] 結晶性分子マシンの光駆動回転シミュレーション (2017)
  • Author(s): 菅野学，河野裕彦
  • Journal Title: CSJカレントレビュー26「分子マシンの科学」 Volume: - Pages: 133-139
  • Peer Reviewed
• [Journal Article] 自在回転部位を有するナノ複合分子の構造と動力学 (2017)
  • Author(s): 河野裕彦，菅野学，中村公亮，菱沼直樹，及川啓太，Wilfredo Credo Chung，花崎浩太
  • Journal Title: センターレポート（自然科学研究機構 岡崎共通研究施設 計算科学研究センター） Volume: 17 Pages: 191-194
  • Int'l Joint Research
• [Journal Article] Ultrafast Dynamics of a Nucleobase Analogue Illuminated by an Ultra-Short Intense X-ray Pulse of SACLA (2017)
  • Author(s): Kiyonobu Nagaya, Hirohiko Kono, Kiyoshi Ueda
  • Journal Title: SPring-8/SACLA Research Frontiers Volume: －
  • Peer Reviewed
• [Journal Article] DNA 鎖切断の反応動力学シミュレーションとAVS/Express を用いた三次元可視化 (2017)
  • Author(s): 菱沼 直樹，及川 啓太，岡田 朝彦，菅野 学，山崎 馨，Wilfredo Credo Chung，齋藤 敦子，河野 裕彦
  • Journal Title: 東北大学サイバーサイエンスセンター 大規模科学計算システム広報（SENAC） Volume: 50
  • NAID: 120006576641
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] 結晶性分子マシンの光駆動回転シミュレーション (2017)
  • Author(s): 菅野 学，河野 裕彦
  • Journal Title: CSJカレントレビュー28 分子マシンの展開 ―分子の動きとその機能を見る― Volume: － Pages: 71-76
  • Peer Reviewed
• [Journal Article] Fragmentation network of doubly charged methionine: Interpretation using graph theory (2016)
  • Author(s): D. T. Ha, K. Yamazaki, Y. Wang, M. Alcami, S. Maeda, H. Kono, F. Martin, and E. Kukk
  • Journal Title: The Journal of Chemical Physics Volume: 145 Issue: 9 Pages: 0943021-9
  • DOI: 10.1063/1.4962061
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Ultrafast Dynamics of a Nucleobase Analogue Illuminated by a Short Intense X-ray Free Electron Laser Pulse (2016)
  • Author(s): K. Nagaya, K. Motomura, E. Kukk, H. Fukuzawa, S. Wada, T. Tachibana, Y. Ito, S. Mondal, T. Sakai, K. Matsunami, R. Koga, S. Ohmura, Y. Takahashi, M. Kanno, A. Rudenko, C. Nicolas, X.-J. Liu, Y. Zhang, J. Chen, M. Anand, Y. H. Jiang, D.-E. Kim, K. Tono, M. Yabashi, H. Kono, C. Miron, M. Yao, and K. Ueda
  • Journal Title: Phys. Rev. X Volume: 6 Issue: 2 Pages: 0210351-9
  • DOI: 10.1103/physrevx.6.021035
  • NAID: 120005774654
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Femtosecond Charge and Molecular Dynamics of I-containing organic molecules Induced by Intense X-Ray Free-Electron Laser Pulses (2016)
  • Author(s): K.Nagaya, K.Motomura, E.Kukk, Y.Takahashi, K.Yamazaki, S.Ohmura, H.Fukuzawa, S.Wada, S.Mondal, T.Tachibana, Y.Ito, R.Koga, T.Sakai, K.Matsunami, K.Nakamura, M.Kanno, A.Rudenko, C.Nicolas, X-J.Liu, C.Miron, Y.Zhang, Y.Jiang, J.Chen, M.Anand, D.E.Kim, K.Tono, M.Yabashi, M.Yao, H.Kono, K.Ueda
  • Journal Title: Faraday Discussions Volume: 194 Pages: 537-562
  • DOI: 10.1039/c6fd00085a
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Stark Spectroscopy of Absorption and Emission of Indoline Sensitizers: A Correlation with the Performance of Photovoltaic Cells (2016)
  • Author(s): N. Ohta, K. Awasthi, K. Okoshi, K. Manseki, H. Miura, Y. Inoue, K. Nakamura, H. Kono, and E W-G Diau
  • Journal Title: J. Chem. Phys. C Volume: 120 Issue: 46 Pages: 26206-26216
  • DOI: 10.1021/acs.jpcc.6b08531
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] 化学反応の行き先を変える"スイッチ"― エネルギーの上昇で反応経路が切り替わる新現象 (2016)
  • Author(s): 寺本 央，戸田 幹人，河野 裕彦，髙橋 正彦，小松﨑 民樹
  • Journal Title: 化学 Volume: 71
  • NAID: 40020823574
  • Peer Reviewed
• [Journal Article] ナノカーボンの転移・解離反応の動力学理論：ナノ分子・生体分子の反応動力学イメージングを目指して (2016)
  • Author(s): 河野 裕彦，山崎 馨，菅野 学
  • Journal Title: 自然科学研究機構自然科学研究センター計算科学研究センターレポート Volume: 16 Pages: 191-194
• [Presentation] Field-induced ultrafast dynamics of molecules: Development from fundamentals to applications (2019)
  • Author(s): Hirohiko Kono
  • Organizer: International symposium on “Ultrafast Molecular Dynamics”
  • Int'l Joint Research / Invited
• [Presentation] Time-dependent effective potential for the ultrafast electron dynamics of molecules in intense laser fields: Application to anisotropic ionization of CO (2019)
  • Author(s): Hirohiko Kono, Shu Ohmura, Tsuyoshi Kato, Hideki Ohmura
  • Organizer: ICPEAC2019, Douville
  • Int'l Joint Research / Invited
• [Presentation] Anisotropic tunnel ionization of CO: Signature of multielectron correlation in effective potential (2019)
  • Author(s): Hirohiko Kono
  • Organizer: ISUILS2019
  • Int'l Joint Research / Invited
• [Presentation] Theoretical approaches to the electronic and Reaction dynamics of molecules induced by intense laser fields (2018)
  • Author(s): Hirohiko Kono, Shu Ohmura, Tsuyoshi Kato, Manabu Kanno, Kota Hanasaki
  • Organizer: ACS National Meeting & Expo, “Strong Field Chemistry”
  • Int'l Joint Research / Invited
• [Presentation] Multiconfigurational theories for the dynamics of molecules in intense laser fields: Anisotropic ionization of CO and structural deformation of C60, (2018)
  • Author(s): Hirohiko Kono, Tsuyoshi Kato, Shu Ohmura, Kaoru Yamazaki, Manabu Kanno,
  • Organizer: International Symposium on Ab Initio Electron Dynamics Simulations
  • Int'l Joint Research / Invited
• [Presentation] 光誘起超高速動力学の複雑系への展開を目指して (2018)
  • Author(s): 河野裕彦
  • Organizer: 福井謙一記念研究センターワークショップ「複合系の理論化学・計算化学：最近の研究状況と展望」
  • Invited
• [Presentation] 光誘起分子動力学の複雑系への展開 (2018)
  • Author(s): 河野裕彦
  • Organizer: 光子場科学研究懇談会平成29年度第3回懇談会
  • Invited
• [Presentation] 動力学理論の光誘起高速ダイナミクスへの展開 (2018)
  • Author(s): 河野裕彦
  • Organizer: 第12回分子科学討論会2018福岡
  • Invited
• [Presentation] XFELに誘起されるヨウ素含有分子およびフラーレンのクーロン爆発とその反応動力学モデルの開発 (2018)
  • Author(s): 落合 宏平，中村 公亮，山崎 馨，菅野 学，高梨 司，福澤 宏宣，遠野 健介，永谷 清信，上田 潔，河野 裕彦
  • Organizer: 第12回分子科学討論会2018福岡
• [Presentation] XFEL誘起の超高速クーロン爆発とDNA鎖切断のシミュレーション (2018)
  • Author(s): 河野裕彦
  • Organizer: 第18回物質科学研究討論会
• [Presentation] 非対称コマ分子の３次元整列の最適制御と時間分解 X 線回折像のシミュレーション (2017)
  • Author(s): 吉田 将隆、大槻 幸義、河野 裕彦
  • Organizer: 第20回理論化学討論会
• [Presentation] XFEL 誘起超高速ダイナミクスの実験・理論展開 (2017)
  • Author(s): 河野 裕彦, 中村 公亮, 落合 宏平, 岡田 朝彦, 及川 啓太, 菱沼 直樹, 花崎 浩太, 菅野 学, 高梨 司, 永谷 清信, 上田 潔
  • Organizer: 第20回理論化学討論会
• [Presentation] 非断熱動力学の代替アルゴリズムに関する研究 (2017)
  • Author(s): 花崎 浩太, 河野 裕彦
  • Organizer: 第20回理論化学討論会
• [Presentation] Reaction dynamics simulation of single and double strand breaks in DNAs (2017)
  • Author(s): T. Okada, K. Oikawa, N. Hishinuma, K. Hanasaki, M. Kanno, H. Kono
  • Organizer: 33rd Symposium on Chemical Kinetics and Dynamics
  • Int'l Joint Research
• [Presentation] DNA damage induced by thermal effect and hydroxyl radicals: Chemical reaction dynamics simulations (2017)
  • Author(s): K. Oikawa, T. Okada, N. Hishinuma, K. Hanasaki, M. Kanno, H. Kono
  • Organizer: 33rd Symposium on Chemical Kinetics and Dynamics
  • Int'l Joint Research
• [Presentation] Development of a reaction dynamics model for the Coulomb explosion of I-containing molecules induced by intense XFELs (2017)
  • Author(s): K. Ochiai, K. Nakamura, Y. Takahashi, M. Kanno, K. Yamazaki, T. Takanashi, H. Fukuzawa, K. Tono, K. Nagaya, K. Ueda, H. Kono
  • Organizer: 33rd Symposium on Chemical Kinetics and Dynamics
  • Int'l Joint Research
• [Presentation] DNA鎖切断の分子論：動力学的解析によるアプローチ (2017)
  • Author(s): 及川 啓太, 岡田 朝彦, 菱沼 直樹, 花崎 浩太, 菅野 学, 河野 裕彦
  • Organizer: 第11回分子科学討論会
• [Presentation] 時間分解３次元X線回折イメージングに向けた非対称コマ分子の最適整列制御 (2017)
  • Author(s): 吉田 将隆、大槻 幸義、河野 裕彦
  • Organizer: 第11回分子科学討論会
• [Presentation] DNA鎖切断の分子論：動力学的解析によるアプローチ (2017)
  • Author(s): 及川 啓太、岡田 朝彦、菱沼 直樹、花崎 浩太、菅野 学、河野 裕彦
  • Organizer: 第11回分子科学討論会
• [Presentation] Reaction dynamics simulation of DNA strand breaks:Analysis based on atom resolved energy and charge (2016)
  • Author(s): Hirohiko Kono, Naoki Hishinuma, Keita Oikawa, Kazuki Ishimoda, Manabu Kanno, Yasushi Kino, Kimio Akiyama
  • Organizer: Molecules and Laser Fields - An Honorary Andre Bandrauk Symposium
  • Place of Presentation: Orford, Canada
  • Int'l Joint Research / Invited
• [Presentation] Femtosecond Charge and Molecular Dynamics of I-containing organic molecules Induced by Intense X-Ray Free-Electron Laser Pulses (2016)
  • Author(s): K.Ueda, K.Nagaya, K.Motomura, E.Kukk, Y.Takahashi, K.Yamazaki, S.Ohmura, H.Fukuzawa, S.Wada, S.Mondal, T.Tachibana, Y.Ito, R.Koga, T.Sakai, K.Matsunami, K.Nakamura, M.Kanno, A.Rudenko, C.Nicolas, X.-J.Liu, C.Miron, Y.Zhang, Y.Jiang, J.Chen, M.Anand, D.E.Kim, K.Tono, M.Yabashi, M.Yao, H.Kono
  • Organizer: Ultrafast Imaging of Photochemical Dynamics: Faraday Discussion
  • Place of Presentation: Edinburgh, United Kingdom
  • Int'l Joint Research / Invited
• [Presentation] ＤＮＡの鎖切断：反応動力学と電子論 (2016)
  • Author(s): 河野 裕彦
  • Organizer: 化学反応経路探索のニューフロンティア(SRPS2016)
  • Place of Presentation: 京都教育文化センター，京都市
  • Invited
• [Presentation] Simulation of XFEL-induced Coulomb explosion: Momentum correlations and energy distributions of fragment ions of multiply charged 5-iodouracil (2016)
  • Author(s): Y. Takahashi, M. Kanno, N. Hishinuma, K. Nakamura, K. Nagaya, H. Fukuzawa, S. Ohmura, K. Ueda, H. Kono
  • Organizer: 第 32 回化学反応討論会
  • Place of Presentation: 大宮ソニックシティ，さいたま市
  • Int'l Joint Research
• [Presentation] Molecules in intense laser fields II: Toward observation of the dynamics of molecules in intense laser fields (2016)
  • Author(s): Hirohiko Kono
  • Organizer: International Symposium on Ultrafast Intense Laser Science 15
  • Place of Presentation: Cassis, France
  • Int'l Joint Research / Invited
• [Book] Chap.5 “Time-dependent Multiconfigurational Theories of Electronic and Nuclear Dynamics of Molecules in Intense Laser Fields” in Attosecond Molecular Dynamics, eds. Marc J. J. Vrakking, Franck Lepine (2018)
  • Author(s): T. Kato, K. Yamanouchi and H. Kono
  • Total Pages: 44
  • Publisher: Royal Society of Chemistry, Cambridge
• [Remarks] 研究紹介「分子制御から分子マシンへ」
  • URL: http://www.chem.tohoku.ac.jp/research/research_outcome/p008.html
• [Remarks] プレスリリース「X線自由電子レーザーの超短パルスでリボ核酸塩基分子中の電荷と原子の動きを可視化！」
  • URL: https://www.tohoku.ac.jp/japanese/2016/06/press20160617-01.html
• [Remarks] プレスリリース「X線照射で始まる超高速反応の観測に成功 レントゲンによるX線の発見から120年で初」
  • URL: https://www.sci.tohoku.ac.jp/news/20190517-10277.html