Investigation of the multielectron dynamics of chemical reactions based on time-dependent molecular orbital picture: Its development and experimental verification

• Project/Area Number: 24245001
• Research Category: Grant-in-Aid for Scientific Research (A)
• 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(系)研究科(研究院), 教授 (70178226)
• Co-Investigator(Kenkyū-buntansha): HISHIKAWA Akiyosi 名古屋大学, 大学院理学研究科, 教授 (50262100) ; KOSEKI Shiro 大阪府立大学, 大学院理学系研究科, 教授 (80252328)
• Co-Investigator(Renkei-kenkyūsha): KATO Tsuyoshi 東京大学, 大学院理学系研究科, 准教授 (10321986) ; KANNO Manabu 東北大学, 大学院理学研究科, 助教 (30598090) ; FUSHITANI Mizuho 名古屋大学, 大学院理学研究科, 講師 (50446259) ; Matsuda Akitaka 名古屋大学, 大学院理学研究科, 助教
• Project Period (FY): 2012-04-01 – 2016-03-31
• Project Status: Completed (Fiscal Year 2015)
• Budget Amount: ¥39,390,000 (Direct Cost: ¥30,300,000、Indirect Cost: ¥9,090,000); Fiscal Year 2015: ¥7,280,000 (Direct Cost: ¥5,600,000、Indirect Cost: ¥1,680,000); Fiscal Year 2014: ¥10,140,000 (Direct Cost: ¥7,800,000、Indirect Cost: ¥2,340,000); Fiscal Year 2013: ¥11,830,000 (Direct Cost: ¥9,100,000、Indirect Cost: ¥2,730,000); Fiscal Year 2012: ¥10,140,000 (Direct Cost: ¥7,800,000、Indirect Cost: ¥2,340,000)
• Keywords: 多電子ダイナミクス / 化学反応動力学 / レーザー制御 / クーロン爆破 / 時間分解分子イメージング / 高次高調波発生 / 時間依存化学ポテンシャル / 原子分割エネルギー / 電子波速動力学 / 反応動力学 / 光波形整形 / 軌道化学ポテンシャル / 電子波束動力学

Outline of Final Research Achievements

We investigated the multielectron dynamics of molecules such as CO and N2 in intense laser fields by using electronic and nuclear wavepacket propagation methods and proposed laser control schemes of the generation of higher order harmonics which is a source of attosecond pulses. We experimentally demonstrated that the two C-O bonds of CO2 can be asymmetrically cleaved by changing the phase between two-color pulses, which provides a new possibility of the laser control of chemical reactions. We also established a method to simulate XFEL-induced Coulomb explosion of molecules for time-resolved molecular imaging．The results of application to iodouracil etc. are in good agreement with the experimental results.

Research Products

• [Journal Article] Imaging electronic excitation of NO by ultrafast laser tunneling ionization (2016)
  • Author(s): T. Endo, A. Matsuda, M. Fushitani, T. Yasuike, O. I. Tolstikhin, T. Morishita and A. Hishikawa
  • Journal Title: Phys. Rev. Lett. Volume: 116
  • NAID: 120005851038
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Coincidence momentum imaging of asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields (2016)
  • Author(s): T. Endo, H. Fujise, A. Matsuda, M. Fushitani, H. Kono and A. Hishikawa
  • Journal Title: J. Electron. Spectrosc. Relat. Phenom. Volume: 207 Pages: 50-54
  • DOI: 10.1016/j.elspec.2015.12.010
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Femtosecond two-photon Rabi oscillations in excited He driven by ultrashort intense laser fields (2016)
  • Author(s): M. Fushitani, C.-N. Liu, A.Matsuda, T. Endo, Y. Toida, M. Nagasono, T. Togashi, M. Yabashi, T. Ishikawa, Y. Hikosaka, T. Morishita, and A. Hishikawa
  • Journal Title: Nat. Photon. Volume: 10 Issue: 2 Pages: 102-105
  • DOI: 10.1038/nphoton.2015.228
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] 光電場で電子の動きを操る～非対称強レーザーパルスを用いた超高速反応コントロール (2016)
  • Author(s): 遠藤友随 ，菱川明栄
  • Journal Title: 化学 Volume: 71 Pages: 72-73
• [Journal Article] Amorphous Solid Simulation and Trial Fabrication of the Organic Field-Effect Transistor of Tetrathienonaphthalenes Prepared by Using Microflow Photochemical Reactions; A Theoretical Calculation-Inspired Investigation (2016)
  • Author(s): Atsushi Yamamoto, Yasunori Matsui, Toshio Asada, Motoki Kumeda, Kenichiro Takagi, Yu Suenaga, Kunihiko Nagae, Eisuke Ohta, Hiroyasu Sato, Shiro Koseki, Hiroyoshi Naito, Hiroshi Ikeda
  • Journal Title: J. Org. Chem Volume: 81 Issue: 8 Pages: 3168-3176
  • DOI: 10.1021/acs.joc.6b00117
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Reply to the ‘Comment on “Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics” by E. M. Cabaleiro-Lago, J. Rodriguez-Otero and A. Gil (2016)
  • Author(s): Hiroyuki Isobe, Kosuke Nakamura, Shunpei Hitosugi, Sota Sato, Hiroaki Tokoyama, Hideo Yamakado, Koichi Ohno and Hirohiko Kono
  • Journal Title: Chem. Sci. Volume: 7 Issue: 4 Pages: 2929-2932
  • DOI: 10.1039/c5sc04676a
  • Peer Reviewed / Open Access
• [Journal Article] 化学反応の行き先を変える“スイッチ” (2016)
  • Author(s): 寺本 央，戸田 幹人，河野 裕彦，高橋 正彦，小松崎 民樹
  • Journal Title: 化学 Volume: 71 Pages: 25-25
  • Peer Reviewed
• [Journal Article] Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine (2015)
  • Author(s): M. Kanno, Y. Ito, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 17 Issue: 3 Pages: 2012-2024
  • DOI: 10.1039/c4cp04807e
  • Peer Reviewed
• [Journal Article] Ab Initio Quantum Dynamical Analysis of Ultrafast Nonradiative Transitions Pathways of Pyrazine (2015)
  • Author(s): Manabu Kanno, Yuta Ito, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, and Yuichi Fujimura
  • Journal Title: Ultrafast Phenomena XIX, Springer Proceedings in Physics Volume: 162 Pages: 176-179
  • DOI: 10.1007/978-3-319-13242-6_42
  • ISBN: 9783319132419, 9783319132426
  • Peer Reviewed
• [Journal Article] Efficient Approach to Obtain Free Energy Gradient using QM/MM MD Simulation (2015)
  • Author(s): Toshio Asada (invited), Kanta Ando, and Shiro Koseki
  • Journal Title: International Conference of Computational Methods in Sciences and Engineering 2015 Volume: - Pages: 090005-090005
  • DOI: 10.1063/1.4938813
  • Peer Reviewed
• [Journal Article] Spin-orbit coupling analyses of phosphorescent processes in Ir(Zppy)3 (Z = NH2, NO2 and CN) (2015)
  • Author(s): Shiro Koseki, Harunobu Yoshinaga, Toshio Asada, and Takeshi Matsushita
  • Journal Title: RSC Advances Volume: 5 Issue: 45 Pages: 35760-35772
  • DOI: 10.1039/c5ra01685a
  • Peer Reviewed
• [Journal Article] Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme (2015)
  • Author(s): Toshio Asada, Kanta Ando, Koji Sakurai, Shiro Koseki, and Masataka Nagaoka
  • Journal Title: Phys. Chem. Chem. Phys Volume: 17 Issue: 40 Pages: 26955-26968
  • DOI: 10.1039/c5cp04423e
  • Peer Reviewed
• [Journal Article] 時間依存断熱状態法による強レーザー場分子ダイナミクス、強光子場の化学 (2015)
  • Author(s): 河野裕彦，加藤 毅
  • Journal Title: CSJカレントレビュー18，日本化学会編（化学同人，2015） Volume: 18 Pages: 71-76
  • Peer Reviewed
• [Journal Article] ナノカーボンにおける光誘起解離反応の動力学シミュレーション，センターレポート (2015)
  • Author(s): 河野裕彦，山崎 馨，菅野 学
  • Journal Title: 自然科学研究機構岡崎共通研究施設 自然科学研究センター Volume: 15 Pages: 208-211
• [Journal Article] X線 自由電子レーザーパルスによるフラーレン超多価カチオンC60q+の爆発解離の動力学シミュレーション―2段階爆発機構の提案 ― (2015)
  • Author(s): 山崎 馨，上田 潔 ，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計算システム広報 SENAC Volume: 48
  • NAID: 120006576571
  • Acknowledgement Compliant
• [Journal Article] 結晶性分子ジャイロスコープの構造と回転動力学の密度汎関数強束縛法によるシミュレーション (2015)
  • Author(s): 菅野 学, 小林倫仁, Wilfredo Credo Chung, 山崎 馨, 瀬高 渉, 河野裕彦
  • Journal Title: SENAC Volume: 48
  • NAID: 120006576583
• [Journal Article] Modulation of Energy Conversion Processes in Carbonaceous Molecular Bearings (2015)
  • Author(s): Shunpei Hitosugi, Kei Ohkubo, Yuki Kawashima, Taisuke Matsuno, Sho Kamata, Kosuke Nakamura, Hirohiko Kono, Sota Sato, Shunichi Fukuzumi, Hiroyuki Isobe
  • Journal Title: Chemistry - An Asian Journal Volume: 10 Issue: 11 Pages: 2404-2410
  • DOI: 10.1002/asia.201500673
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Mechanism and Experimental Observability of Global Switching Between Reactive and Nonreactive Coordinates at High Total Energies (2015)
  • Author(s): H. Teramoto, M. Toda, H. Kono, M.Takahashi, T. Komatsuzaki
  • Journal Title: Physical Review Letters Volume: 115 Issue: 9 Pages: 093003-093003
  • DOI: 10.1103/physrevlett.115.093003
  • NAID: 120005853086
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Application of stochastic Liouville-von Neumann equation to electronic energy transfer in FMO complex (2015)
  • Author(s): H. Imai, Y. Ohtsuki, and H. Kono
  • Journal Title: Chem. Phys. Volume: 446 Pages: 134-141
  • DOI: 10.1016/j.chemphys.2014.11.014
  • Peer Reviewed
• [Journal Article] Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics (Advance Article) (2015)
  • Author(s): H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono
  • Journal Title: Chem. Sci. Volume: - Issue: 5 Pages: 2746-2753
  • DOI: 10.1039/c5sc00335k
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Theoretical Analyses of the Substituent Effects on Phosphorescence in Ir(ppy)3 (2015)
  • Author(s): Shiro Koseki, Harunobu Yoshinaga, Toshio Asada, and Takeshi Matsushita
  • Journal Title: RSC Advances Volume: 印刷中
  • Peer Reviewed
• [Journal Article] Electroabsorption and electrophotoluminescence spectra of some subphthalocyanines (2014)
  • Author(s): K. Awasthi, K. Nakamura, H. Kono, N. Kobayashi, N. Ohta
  • Journal Title: Chem. Phys. Lett. Volume: 599 Pages: 163-168
  • DOI: 10.1016/j.cplett.2014.02.047
  • Peer Reviewed
• [Journal Article] Photoinduced electron transfer in a dynamic supramolecular system with curved π-structures (2014)
  • Author(s): Hitosugi, S.; Ohkubo, K.; Iizuka, R.; Kawashima, Y.; Nakamura, K.; Sato, S.; Kono, H.; Fukuzumi, S.; Isobe, H.
  • Journal Title: Org. Lett. Volume: 16 Issue: 12 Pages: 3352-3355
  • DOI: 10.1021/ol501381x
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Characterization of multielectron dynamics in molecules: A multiconfiguration time-dependent Hartree-Fock picture (2014)
  • Author(s): Shu Ohmura, Hirohiko Kono, Takayuki Oyamada, Tsuyoshi Kato, Katsunori Nakai, and Shiro Koseki
  • Journal Title: The Journal of Chemical Physics Volume: 141 Issue: 11 Pages: 1141051-14
  • DOI: 10.1063/1.4894505
  • Peer Reviewed
• [Journal Article] Communication: Two-step explosion processes of highly charged fullerene cations C60q+ (q= 20-60) (2014)
  • Author(s): Kaoru Yamazaki, Takashi Nakamura, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono
  • Journal Title: J. Chem. Phys. Volume: 141 Issue: 12 Pages: 121105-121105
  • DOI: 10.1063/1.4896656
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Five-photon sequential double ionization of He in intense extreme-ultraviolet free-electron laser fields (2014)
  • Author(s): Y. Hikosaka, M. Fushitani, A. Matsuda, T. Endo, Y. Toida, E. Shigemasa, M. Nagasono, K. Tono, T. Togashi, M. Yabashi, T. Ishikawa and A. Hishikawa
  • Journal Title: Phys. Rev. A Volume: 90 Issue: 5 Pages: 0534031-5
  • DOI: 10.1103/physreva.90.053403
  • Peer Reviewed
• [Journal Article] Photoelectron-photoion correlation in ultrafast multichannel photoionization of Ar (2014)
  • Author(s): R. Itakura, M. Fushitani, A. Hishikawa and T. Sako
  • Journal Title: J. Phys. B : At. Mol. Opt. Phys. Volume: 47 Issue: 19 Pages: 1956021-9
  • DOI: 10.1088/0953-4075/47/19/195602
  • Peer Reviewed
• [Journal Article] Time-resolved laser Coulomb explosion imaging using few-cycle intense laser pulses: Application to exploding CS2 in highly charged states (2014)
  • Author(s): A. Matsuda, E. J. Takahashi and A. Hishikawa
  • Journal Title: J. Electron. Spectrosc. Relat. Phenom. Volume: 195 Pages: 327-331
  • DOI: 10.1016/j.elspec.2013.12.011
  • Peer Reviewed
• [Journal Article] Special issue on ultrafast electron and molecular dynamics (2014)
  • Author(s): F. Martin, A. Hishikawa and M. Vrakking
  • Journal Title: J. Phys. B: At. Mol. Opt. Phys. Volume: 47 Issue: 12 Pages: 1202011-1
  • DOI: 10.1088/0953-4075/47/12/120201
  • Peer Reviewed
• [Journal Article] Theoretical Analyses on Phosphorescent Processes in Pt(thpy)2 and its Derivatives (2014)
  • Author(s): Shiro Koseki, Yuhki Kagita, Sachiko Matsumoto, Toshio Asada, Shigeyuki Yagi, Hiroyuki Nakazumi, and Takeshi Matsushita
  • Journal Title: J. Phys. Chem. C Volume: 118 Issue: 28 Pages: 15412-15421
  • DOI: 10.1021/jp5046832
  • Peer Reviewed
• [Journal Article] Molecular Orbital Analysis of High Harmonic Generation (2014)
  • Author(s): S. Ohmura, T. Oyamada, T. Kato, H. Kono and S. Koseki
  • Journal Title: JPS Conference Proceedings "Proceedings of the 12th Asia Pacific Physics Conference" Volume: 1 Pages: 0130871-5
  • DOI: 10.7566/jpscp.1.013087
  • Peer Reviewed
• [Journal Article] Nonadiabatically Coupled π-Electron Rotation and Molecular Vibration in Aromatic Molecules Excited by Polarized UV/Vis Laser Pulses (2014)
  • Author(s): Manabu Kanno, Yukari Ono, Hirohiko Kono, and Yuichi Fujimura
  • Journal Title: CHINESE JOURNAL OF PHYSICS Volume: 52 Pages: 617-651
  • Peer Reviewed
• [Journal Article] グリーン関数法を用いた有機分子における紫外光電子スペクトルの理論計算 (2014)
  • Author(s): 山崎 馨, 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: Vol.47, No.2 Pages: 53-58
  • NAID: 120006576502
• [Journal Article] Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier (2013)
  • Author(s): T. Bredtmann, H. Kono, J. Manz, K. Nakamura and C. Stemmle
  • Journal Title: ChemPhysChem Volume: 14 Issue: 7 Pages: 1397-1404
  • DOI: 10.1002/cphc.201200943
  • Peer Reviewed
• [Journal Article] (Communication) Long-lived neutral H2 in hydrogen migration within methanol dication (2013)
  • Author(s): K. Nakai, T. Kato, H. Kono, and K. Yamanouchi
  • Journal Title: The Journal of Chemical Physics Volume: 139 Issue: 18 Pages: 1811031-4
  • DOI: 10.1063/1.4830397
  • Peer Reviewed
• [Journal Article] Non-resonant EUV-UV two-color two-photon ionization of He studied by single-shot photoelectron spectroscopy (2013)
  • Author(s): M. Fushitani, Y. Hikosaka, A. Matsuda, T. Endo, E. Shigemasa, M. Nagasono, T. Sato, T. Togashi, M. Yabashi, T. Ishikawa and A. Hishikawa
  • Journal Title: Phys. Rev. A Volume: 88 Pages: 0634221-6
  • Peer Reviewed
• [Journal Article] Resonances in three-photon double ionization of Ar in intense extreme ultraviolet free-electron laser fields studied by shot-by-shot photoelectron spectroscopy (2013)
  • Author(s): Y. Hikosaka, M. Fushitani, A. Matsuda, T. Endo, Y. Toida, E. Shigemasa, M. Nagasono, K. Tono, T. Togashi, M. Yabashi, T. Ishikawa and A. Hishikawa
  • Journal Title: Phys. Rev. A Volume: 88 Issue: 2 Pages: 0234211-6
  • DOI: 10.1103/physreva.88.023421
  • Peer Reviewed
• [Journal Article] Compact XFEL and AMO sciences: SACLA and SCSS (2013)
  • Author(s): M. Yabashi, T. Togashi, T. Hara, M. Nagasono, Y. Otake, H. Tanaka, T. Tanaka, K. Togawa, H. Tomizawa, T. Ishikawa
  • Journal Title: Journal of Physics B Volume: 46 Issue: 16 Pages: 164001-164019
  • DOI: 10.1088/0953-4075/46/16/164001
  • Peer Reviewed
• [Journal Article] Ab initio MCSCF Study on Several Azide Molecules: Energy Component Analysis of the Pseudo-Jahn-Teller Effect (2013)
  • Author(s): Azumao Toyota, Takashi Muramatsu, Shiro Koseki
  • Journal Title: RSC Advances Volume: 3 Issue: 27 Pages: 10775-10785
  • DOI: 10.1039/c3ra41103f
  • Peer Reviewed
• [Journal Article] Theoretical Investigation of the Reaction Mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) Cluster (2013)
  • Author(s): T.Asada, T.Okajima, and S.Koseki
  • Journal Title: Journal of Physical Chemistry A Volume: 117 Issue: 33 Pages: 7928-7938
  • DOI: 10.1021/jp406175j
  • Peer Reviewed
• [Journal Article] ナノカーボンの光誘起転位・解離反応の動力学シミュレーション (2013)
  • Author(s): 河野裕彦，山崎 馨，中村尭祉，菅野 学
  • 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自然科学研究セ ンター） Volume: 13 Pages: 15-16
• [Journal Article] Photo- and Electroluminescence from Deep Red- and Near Infrared-Phosphorescent tris-Cyclometalated Iridium(III) Complexes Bearing Largely p-Extended Ligands (2013)
  • Author(s): Shigeru Ikawa, Shigeyuki Yagi, Takeshi Maeda, Hiroyuki Nakazumi, Hideki Fujiwara, Shiro Koseki, Yoshiaki Sakurai
  • Journal Title: Inorg. Chem. Comm. Volume: 38 Pages: 14-19
  • DOI: 10.1016/j.inoche.2013.09.075
  • Peer Reviewed
• [Journal Article] Neutral-fragmentation Paths of Methane Induced by Intense Ultrashort IR Laser (2013)
  • Author(s): S.Koseki, N. Shimakura, Y. Teranisi, S. H. Lin, and Y. Fujimura
  • Journal Title: Journal Physical Chemistry A Volume: 117 Issue: 2 Pages: 333-341
  • DOI: 10.1021/jp309931c
  • Peer Reviewed
• [Journal Article] Spin Orbit Coupling Analyses of the Geometrical Effects on Phosphorescence in Ir(ppy)3 and Its Derivatives (2013)
  • Author(s): Koseki; Na-oya Kamata, Toshio Asada, Shigeyuki Yagi, Hiroyuki Nakazumi Takeshi Matsushita
  • Journal Title: Journal of Physical Chemistry C Volume: on line Issue: 10 Pages: 5314-5327
  • DOI: 10.1021/jp312032s
  • Peer Reviewed
• [Journal Article] Coherent ring currents in chiral aromatic molecules induced by linearly poalrized UV laser pulses (2013)
  • Author(s): M. Kanno, H. Kono,H. Mineo, S. H. Lin, Y. Fujimura
  • Journal Title: Key Engineering Materials Volume: 541 Pages: 381-384
  • DOI: 10.4028/www.scientific.net/kem.543.381
  • Peer Reviewed
• [Journal Article] Strong nuclear ring currents and magnetic fields in pseudorotating OsH4 molecule induced by circularly polarized laser pulses (2012)
  • Author(s): Ingo Barch, Christian Bressler, Shiro Koseki, and Joern Manz
  • Journal Title: Asian J. Chem. Volume: 7 Issue: 6 Pages: 1261-1295
  • DOI: 10.1002/asia.201100776
  • Peer Reviewed
• [Journal Article] Time-Dependent Multiconfiguration Theory and Its Application to Ultrafast Electronic Dynamics of Molecules in an Intense Laser Field (2012)
  • Author(s): Tsuyoshi Kato, Takayuki Oyamada, Hirohiko Kono, and Shiro Koseki
  • Journal Title: Progress of Theoretical Physics Supplement Volume: 196 Pages: 16-38
  • DOI: 10.1143/ptps.196.16
  • NAID: 110009543654
  • Peer Reviewed
• [Journal Article] Natural Orbital Analysis of Ultrafast Multielectron Dynamics of Molecules (2012)
  • Author(s): Hirohiko Kono, Takayuki Oyamada, Tsuyoshi Kato and Shiro Koseki
  • Journal Title: Springer Proceedings in Physics Volume: Vol.125, Chapter 48 Pages: 289-297
  • DOI: 10.1007/978-3-642-28948-4_48
  • ISBN: 9783642289477, 9783642289484
  • Peer Reviewed
• [Journal Article] Nanosecond simulations of the dynamics of C60 excited by intense near-IR laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation (2012)
  • Author(s): Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, and Katsunori Nakai
  • Journal Title: Journal of Chemical Physics Volume: Vol.136 Issue: 16 Pages: 164304-164304
  • DOI: 10.1063/1.4704896
  • Peer Reviewed
• [Journal Article] Laser-polarization effects on coherent vibronic excitation of molecules with quasi-degenerate excited states (2012)
  • Author(s): M. Kanno, Y. Ono, H. Kono, Y. Fujimura
  • Journal Title: Journal ofPhysical Chemistry A Volume: 116 Issue: 46 Pages: 11260-11272
  • DOI: 10.1021/jp305284w
  • Peer Reviewed
• [Journal Article] Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections (2012)
  • Author(s): Kaoru Yamazaki, Naoyuki Niitsu, Kosuke Nakamura, Manabu Kanno, and Hirohiko Kono
  • Journal Title: The Journal of Physical Chemistry A Volume: 116 Issue: 46 Pages: 11441-11450
  • DOI: 10.1021/jp306894x
  • Peer Reviewed
• [Journal Article] Theoretical Investigation of the Structures and Dynamics of Crystalline Molecular Gyroscopes (2012)
  • Author(s): Anant Babu Marahatta, Manabu Kanno, Kunihito Hoki, Wataru Setaka, Stephan Irle, and Hirohiko Kono
  • Journal Title: The Journal of Physical Chemistry C Volume: 116 Issue: 46 Pages: 24845-24854
  • DOI: 10.1021/jp308974j
  • Peer Reviewed
• [Journal Article] Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules (2012)
  • Author(s): Manabu Kanno, Hirohiko Kono, Sheng H. Lin, and Yuichi Fujimura
  • Journal Title: Progress in Theoretical Chemistry and Physics Volume: 26 Pages: 121-148
  • DOI: 10.1007/978-94-007-5297-9_6
  • ISBN: 9789400752962, 9789400752979
  • Peer Reviewed
• [Journal Article] Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation (2012)
  • Author(s): Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, Katsunori Nakai, and Stephan Irle
  • Journal Title: Progress in Theoretical Chemistry and Physics Volume: 26 Pages: 149-177
  • DOI: 10.1007/978-94-007-5297-9_7
  • ISBN: 9789400752962, 9789400752979
  • Peer Reviewed
• [Journal Article] 化学反応に及ぼすマイクロ波効果の理論的考察 (2012)
  • Author(s): 河野裕彦, 菅野 学
  • Journal Title: マイクロ波励起・高温非平衡反応場の科学 ―マイクロ波エネルギーの基礎と新しい応用―, 自然科学研究機構核融合科学研究所編 Volume: 1 Pages: 75-79
  • Peer Reviewed
• [Journal Article] ナノカーボンの光誘起転移・解離反応制御のシミュレーション (2012)
  • Author(s): 河野裕彦, 山崎 馨, 新津直幸, 菅野 学
  • Journal Title: 計算科学研究センターレポート Volume: 12 Pages: 14-17
  • Peer Reviewed
• [Journal Article] 光によって引き起こされる化学反応の量子力学に基づく理論解析 ―非断熱遷移を引き起こす円錐交差の取り扱いについて― (2012)
  • Author(s): 山崎 馨, 菅野 学, 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: Vol.45, No.4 Pages: 1-9
  • NAID: 120006560355
  • Peer Reviewed
• [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
  • Place of Presentation: Orford, Canada
  • Year and Date: 2016-05-04
  • Int'l Joint Research / Invited
• [Presentation] アルキル置換型テトラチエノナフタレンのマイクロフロー合成と有機半導体特性評価 (2016)
  • Author(s): 山本 惇司，松井 康哲，麻田 俊雄，高木 謙一郎，末永 悠，久米田 元紀，太田 英輔，内藤 裕義，小関 史朗，池田 浩
  • Organizer: 日本化学会第96春季年会 (4F2-03)
  • Place of Presentation: 同志社大学・京田辺（奈良）
  • Year and Date: 2016-03-24
• [Presentation] 光誘起電子移動環化-脱水素化によるテトラチエノナフタレンの合成と基礎物性評価 (2016)
  • Author(s): 長柄 邦彦，山本 惇司，麻田 俊雄，佐藤 寛泰，松井 康哲，太田 英輔，小関 史朗，池田 浩
  • Organizer: 日本化学会第96春季年会 (2H6-09)
  • Place of Presentation: 同志社大学・京田辺（奈良）
  • Year and Date: 2016-03-24
• [Presentation] 2色位相制御強レーザー場における CO2 分子の非対称クーロン爆発過程 (2016)
  • Author(s): 遠藤友随，藤瀬光香，河地由奈，石原采佳, 菱川明栄
  • Organizer: 日本物理学会第71回年次大会
  • Place of Presentation: 東北学院大学(仙台)
  • Year and Date: 2016-03-19
• [Presentation] Dissociative ionization of NO in phase-locked two-color intense laser fields (2016)
  • Author(s): A. Ishihara, T. Endo, A. Hishikawa
  • Organizer: The 5th International Conference on MEXT Project of Integrated Research on Chemical Synthesis "Chemical Science for Future Societies
  • Place of Presentation: Nagoya(Japan)
  • Year and Date: 2016-01-29
  • Int'l Joint Research
• [Presentation] Asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields (2016)
  • Author(s): H. Fujise, T. Endo, Y. Kawachi, A. Ishihara, A. Hishikawa
  • Organizer: The 5th International Conference on MEXT Project of Integrated Research on Chemical Synthesis "Chemical Science for Future Societies"
  • Place of Presentation: Nagoya(Japan)
  • Year and Date: 2016-01-29
  • Int'l Joint Research
• [Presentation] Coincidence momentum imaging of asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields (2016)
  • Author(s): A. Hishikawa
  • Organizer: International workshop on theory for attosecond quantum dynamics (IWTAQD)14
  • Place of Presentation: Chofu(Japan)
  • Year and Date: 2016-01-26
  • Int'l Joint Research / Invited
• [Presentation] Molecular dynamics simulation of the strand break processes in model DNAs: Analysis of electron and energy transfer (2015)
  • Author(s): Hirohiko Kono, Naoki Hishinuma, Manabu Kanno, Yasushi Kino, and Kimio Akiyama
  • Organizer: The International Chemical Congress of Pacific Basin Societies 2015 (PACIFICHEM 2015)
  • Place of Presentation: Honolulu, Hawaii
  • Year and Date: 2015-12-19
  • Int'l Joint Research / Invited
• [Presentation] ナノ・バイオ分子の動力学：分子ベアリング内部 回転とＤＮＡ鎖切断 (2015)
  • Author(s): 河野 裕彦
  • Organizer: 第6回 CMSI 研究会
  • Place of Presentation: 東京大学，東京
  • Year and Date: 2015-12-17
• [Presentation] Rotational dynamics of a crystalline molecular gyroscope driven by an external terahertz field (2015)
  • Author(s): Wilfredo Credo Chung
  • Organizer: 第6回 CMSI 研究会
  • Place of Presentation: 東京大学，東京
  • Year and Date: 2015-12-17
• [Presentation] Laser-polarization dependence of atomic/molecular multiphoton excitation within a single-active-electron model of spherical symmetry (2015)
  • Author(s): M. Kanno, N. Inada, and H. Kono
  • Organizer: The International Chemical Congress of Pacific Basin Societies 2015 (PACIFICHEM 2015)
  • Place of Presentation: Honolulu, Hawaii
  • Year and Date: 2015-12-16
  • Int'l Joint Research
• [Presentation] First-principles simulation of the reaction dynamics and Coulomb explosions of C60 induced by ultrashort intense laser pulses (2015)
  • Author(s): Hirohiko Kono, Kaoru Yamazaki, Yutaro Takehara, Naoyuki Niitsu, Wilfredo Credo Chung, Manabu Kanno, and Kiyoshi Ueda
  • Organizer: The International Chemical Congress of Pacific Basin Societies 2015(PACIFICHEM 2015)
  • Place of Presentation: Honolulu, Hawaii
  • Year and Date: 2015-12-16
  • Int'l Joint Research / Invited
• [Presentation] Dissociative ionization of excited molecules in few-cycle intense laser fields (2015)
  • Author(s): A. Hishikawa
  • Organizer: International Symposium on Ultrafast Intense Laser Science (ISUILS14)
  • Place of Presentation: Kauai(USA)
  • Year and Date: 2015-12-09
  • Int'l Joint Research / Invited
• [Presentation] Dynamics of Crystalline Molecular Gyroscopes Driven by Terahertz Radiations， (2015)
  • Author(s): Wilfredo Credo Chung
  • Organizer: 5th International Workshop on Massively Parallel Programming Now in Quantum Chemistry and Physics
  • Place of Presentation: Tokyo, Japan
  • Year and Date: 2015-11-26
  • Int'l Joint Research
• [Presentation] Molecular Coulomb explosion and dissociative ionization in asymmetric intense laser fields (2015)
  • Author(s): A. Hishikawa
  • Organizer: 二国間交流事業共同研究 : 高強度レーザー場中の超高速原子・分子の多電子ダイナミクス研究会
  • Place of Presentation: プレミアリゾート夕雅(志摩)
  • Year and Date: 2015-11-18
  • Int'l Joint Research
• [Presentation] THz-Driven Internal Rotation in Crystalline Molecular Gyroscopes: Density-Functional-Based Tight-Binding Simulation (2015)
  • Author(s): Manabu Kanno
  • Organizer: International workshop “Photo-induced Molecular Functioning”
  • Place of Presentation: Hsinchu, Taiwan
  • Year and Date: 2015-11-16
  • Int'l Joint Research / Invited
• [Presentation] fac-Ir(ppy)3における配位子効果および置換基効果に基づく青色燐光材料の計理論設 (2015)
  • Author(s): 吉長 晴信，麻田 俊雄，小関 史朗 , 松下 武司
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (O1)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] アルキル置換型テトラエノナフタレンの合成と溶液塗布型OFET特性評価 (2015)
  • Author(s): 山本 惇司，高木 謙一郎，末永 悠，麻田 俊雄，久米田 元紀，松井 康哲，
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (O2)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] 自由エネルギー面上における酵素反応の理論的解析 (2015)
  • Author(s): 安藤寛太，麻田 俊雄，小関 史朗
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (P2)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] 消化酵素阻害剤BPTIの阻害メカニズムの理論的研究 (2015)
  • Author(s): 野中 康太朗，麻田 俊雄，小関 史朗
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (P3)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] 安定構造の探索に適する応答核を用いた分子シミュレーションの開発 (2015)
  • Author(s): 山口 高正，麻田 俊雄，小関 史朗
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (P4)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] リチウムイオン電池の電解液分解反応に対する電解質分子の影響の理論的解析 (2015)
  • Author(s): 山下 大貴，麻田 俊雄，小関 史朗
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (P5)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] 燐光イリジウム錯体Ir(ppy)2(pic)およびIr(ppy)2(acac)のppy配位子の窒素置換による青色燐光材料の理論設計 (2015)
  • Author(s): 吉長 晴信，麻田 俊雄，小関 史朗，松下 武司
  • Organizer: 大阪府立大学21世紀科学研究機構分子エレクトロニックデバイス研究所・第17回研究会 (P6)
  • Place of Presentation: 大阪府立大学学術交流センター（堺）
  • Year and Date: 2015-11-06
• [Presentation] Visualizing electron distribution profile in excited molecules by few-cycle intense laser pulses (2015)
  • Author(s): T. Endo
  • Organizer: International Workshop on Ultrafast Imaging Science
  • Place of Presentation: Nagoya(Jap4an)
  • Year and Date: 2015-11-04
  • Int'l Joint Research / Invited
• [Presentation] 反応マイクロスコープ：分子ダイナミクスの実時間追跡 (2015)
  • Author(s): 菱川明栄
  • Organizer: QSEC公開シンポジウム
  • Place of Presentation: 京都大学宇治キャンパス(宇治)
  • Year and Date: 2015-10-23
  • Invited
• [Presentation] 強レーザー場フラグメントイオン画像計測による分子軌道可視化 (2015)
  • Author(s): 菱川明栄
  • Organizer: 「新しい光科学の創成とナノ情報デバイスへの展開 Ⅲ」研究会
  • Place of Presentation: 東北大学(仙台)
  • Year and Date: 2015-10-15
  • Invited
• [Presentation] Strand Breaks in Model DNAs Induced by the Charge and Energy Transfer among Nucleotides (2015)
  • Author(s): H. Kono, N. Hishinuma, M. Kanno
  • Organizer: 6th Japan-Czeckh-Slovakia International Symposium on Theoretical Chemistry
  • Place of Presentation: Smolenice Castle, Slovakia
  • Year and Date: 2015-10-12
  • Int'l Joint Research / Invited
• [Presentation] 自由エネルギー解析に基づく加水分解酵素によるβ-lactam環分解反応の理論的研究 (2015)
  • Author(s): 安藤寛太，麻田 俊雄，小関 史朗
  • Organizer: 第９回分子科学討論会 (4P096)
  • Place of Presentation: 東京工業大学大岡山 (東京)
  • Year and Date: 2015-09-19
• [Presentation] 分子の複数軌道の高次高調波発生への寄与と搬送波位相制御 (2015)
  • Author(s): 大村 周，河野 裕彦，小山田 隆行，加藤 毅，中井 克典，小関 史朗
  • Organizer: 第９回分子科学討論会 (4P105)
  • Place of Presentation: 東京工業大学大岡山 (東京)
  • Year and Date: 2015-09-19
• [Presentation] 分子の複数軌道の高次高調波発生への寄与と搬送波位相制御 (2015)
  • Author(s): 大村周, 河野裕彦, 小山田隆行, 加藤毅, 中井克典，小関史朗
  • Organizer: 第9回分子科学討論会
  • Place of Presentation: 東京工業大学大岡山キャンパス，東京
  • Year and Date: 2015-09-19
• [Presentation] 位相空間表示に基づいたガウス基底核波束動力学法のトンネルダイナミクスへの適用 (2015)
  • Author(s): 荒井 雄太, 菅野 学, 河野 裕彦
  • Organizer: 第9回分子科学討論会
  • Place of Presentation: 東京工業大学大岡山キャンパス，東京
  • Year and Date: 2015-09-19
• [Presentation] 原子・分子の多光子吸収過程 の偏光依存性 ―球対称モデルに基づく動力学的解析― (2015)
  • Author(s): 稲田裕允，菅野 学，河野裕彦
  • Organizer: 第9回分子科学討論会
  • Place of Presentation: 東京工業大学大岡山キャンパス，東京
  • Year and Date: 2015-09-18
• [Presentation] 塗布型有機EL素子のための青色燐光材料の理論設計 (2015)
  • Author(s): 吉長 晴信，麻田 俊雄，小関 史朗 , 松下 武司
  • Organizer: 第９回分子科学討論会 (2P109)
  • Place of Presentation: 東京工業大学・大岡山 (東京)
  • Year and Date: 2015-09-17
• [Presentation] 非対称強レーザー場における NO 分子の解離性イオン化過程 (2015)
  • Author(s): 遠藤友随, 石原彩香, 菱川明栄
  • Organizer: 第9回分子科学討論会2015
  • Place of Presentation: 東京工業大学(大岡山)
  • Year and Date: 2015-09-16
• [Presentation] ２色位相制御強レーザーパルスによる NO 分子の非対称分子軌道の観測 (2015)
  • Author(s): 遠藤友随，石原彩佳，松田晃孝，伏谷瑞穂，菱川明栄
  • Organizer: 日本物理学会2015年秋季大会
  • Place of Presentation: 関西大学(吹田)
  • Year and Date: 2015-09-16
• [Presentation] Fragment anisotropy on dissociative ionization of NO in two-color intense laser fields (2015)
  • Author(s): T. Endo
  • Organizer: The XXIX International Conference on Photonic, Electronic,and Atomic Collisions (ICPEAC2015)
  • Place of Presentation: Toledo(Spain)
  • Year and Date: 2015-07-22
  • Int'l Joint Research
• [Presentation] An Atom Resolved View of Chemical Reactions: Application to Nanocarbons and Model DNAs (2015)
  • Author(s): H. Kono
  • Organizer: 第31回化学反応討論会
  • Place of Presentation: 北海道大学，札幌
  • Year and Date: 2015-06-05
  • Int'l Joint Research / Invited
• [Presentation] Electron dynamics in nonadiabatic transitions through an avoided crossing: Energy analysis of time-dependent molecular orbitals (2015)
  • Author(s): Y. Sato, S. Ohmura, M. Kanno, H. Kono
  • Organizer: 第31回化学反応討論会
  • Place of Presentation: 北海道大学，札幌
  • Year and Date: 2015-06-04
  • Int'l Joint Research
• [Presentation] Dissociative ionization of NO induced by phase-controlled two-color intense laser fields (2015)
  • Author(s): E. Tomoyuki, A. Ishihara, M. Fushitani, A. Matsuda, and A. Hishikawa
  • Organizer: 第31回化学反応討論会
  • Place of Presentation: 北海道大学(札幌)
  • Year and Date: 2015-06-03
  • Int'l Joint Research
• [Presentation] フッ素置換回転子を持つ結晶性分子ジャイロスコープのテラヘルツ波駆動ダイナミクス (2015)
  • Author(s): 道股知也，小林倫仁，Wilfredo Credo Chung, 菅野 学，瀬高 渉，河野裕彦
  • Organizer: 第18回 理論化学討論会
  • Place of Presentation: 大阪大学豊中キャンパス，大阪
  • Year and Date: 2015-05-22
• [Presentation] 配位子および置換基効果に基づく青色燐光Ir 錯体の理論設計 (2015)
  • Author(s): 吉長 晴信，麻田 俊雄，小関 史朗 , 松下 武司
  • Organizer: 第18回理論化学討論会 (1P01)
  • Place of Presentation: 大阪大学（豊中）
  • Year and Date: 2015-05-20
• [Presentation] 原子分極の応答核の導入およびClass C β-lactamase のアシル化反応への応用 (2015)
  • Author(s): 安藤 寛太，麻田 俊雄，小関 史朗
  • Organizer: 第18回理論化学討論会 (1P24)
  • Place of Presentation: 大阪大学（豊中）
  • Year and Date: 2015-05-20
• [Presentation] リチウムイオン電池における電解液分解反応に対する電解質分子の影響の理論的解析 (2015)
  • Author(s): 山下 大貴，麻田 俊雄，小関 史朗
  • Organizer: 第18回理論化学討論会 (1P29)
  • Place of Presentation: 大阪大学（豊中）
  • Year and Date: 2015-05-20
• [Presentation] 高強度超短パルスによる分子の高次高調波発生の自然軌道解析と制御 (2015)
  • Author(s): 大村周，河野裕彦，小山田隆行，加藤毅，中井克典，小関史朗
  • Organizer: 第18回理論化学討論会 (2P12)
  • Place of Presentation: 大阪大学（豊中）
  • Year and Date: 2015-05-20
• [Presentation] An Atom Resolved View of Chemical Reactions: Application to the Dymanics of Nanocarbons and Crystalline Molecular Gyroscopes (2015)
  • Author(s): Hirohiko Kono
  • Organizer: 国立交通大学応用化学系講演会
  • Place of Presentation: Hsinchu (Taiwan)
  • Year and Date: 2015-01-16
  • Invited
• [Presentation] Dynamics and control of molecular systems: Nanocarbons and crystalline molecular gyroscopes (2015)
  • Author(s): Hirohiko Kono
  • Organizer: 国立台湾大学講演会
  • Place of Presentation: Taipei (Taiwan)
  • Year and Date: 2015-01-15
  • Invited
• [Presentation] 自在回転部位を有するナノ複合分子の構造とダイナミクス：結晶性分子 ジャイロスコープと分子ベアリング (2014)
  • Author(s): 河野裕彦、Wilfredo Credo Chung､中村公亮､菅野学
  • Organizer: 第5回 CMSI 研究会
  • Place of Presentation: 東北大学 片平キャンパス さくらホール（宮城県仙台市）
  • Year and Date: 2014-12-08
  • Invited
• [Presentation] 分子ジャイロスコープの設計とダイナミクス (2014)
  • Author(s): 河野裕彦
  • Organizer: GRRM誕生十周年・GRRM14発表記念講演会「GRRMで拓く化学のニューフロンティア」
  • Place of Presentation: 学士会館（東京都千代田区）
  • Year and Date: 2014-11-30
  • Invited
• [Presentation] Visualizing ultrafast chemical reactions by few-cycle intense laser pulses (2014)
  • Author(s): A. Hishikawa
  • Organizer: Indo-Japan Joint Workshop on “Frontiers in Molecular Spectroscopy: Fundamentals and Applications to Material and Biology”
  • Place of Presentation: Nara (Japan)
  • Year and Date: 2014-11-25 – 2014-11-28
  • Invited
• [Presentation] 原子分割エネルギーによる反応動力学解析 －電場応答系への応用－ (2014)
  • Author(s): 河野裕彦
  • Organizer: 計算分子科学研究拠点（ＴＣＣＩ）第５回研究会
  • Place of Presentation: 岡崎コンファレンスセンター（愛知県岡崎市）
  • Year and Date: 2014-10-18
  • Invited
• [Presentation] Visualizing ultrafast chemical reactions by few-cycle intense laser pulses (2014)
  • Author(s): A. Hishikawa
  • Organizer: P. N. Lebedev Physical Institute 講演会
  • Place of Presentation: Moscow (Russia)
  • Year and Date: 2014-09-25
  • Invited
• [Presentation] 強レーザーパルスによる超高速反応イメージング (2014)
  • Author(s): 菱川明栄
  • Organizer: 第1回森野ディスカッション
  • Place of Presentation: 東京大学 (東京都文京区本郷)
  • Year and Date: 2014-08-29
  • Invited
• [Presentation] Dynamics and control of the internal rotations in molecular systems: Crystalline molecular gyroscopes (2014)
  • Author(s): Hirohiko Kono
  • Organizer: Telluride Science Research Center (TSRC) Workshop on Molecular Rotors, Motors, and Switches
  • Place of Presentation: Telluride, Colorado (U.S.A.)
  • Year and Date: 2014-07-02
  • Invited
• [Presentation] Multi-electron dynamics beyond the mean field picture: theoretical investigation of high harmonic generation using the time-dependent multiconfiguration theory
  • Author(s): Hirohiko Kono
  • Organizer: Short Pulse Strong Field Laser Physics International Symposium Honouring See Leang Chin
  • Place of Presentation: Quebec City, Canada
  • Invited
• [Presentation] Atoms and molecules in intense laser fields I
  • Author(s): Hirohiko Kono
  • Organizer: International Symposium on Ultrafast Intense Laser Science (ISUILS) 12
  • Place of Presentation: Salamanca, Spain
  • Invited
• [Presentation] 多電子ダイナミクスから反応制御へ －理論化学の視点から－
  • Author(s): 河野裕彦
  • Organizer: 文部科学省「革新的ハイパフォーマンス・コンピューティング・インフラ（HPCI）の構築」 HPCI戦略分野2「新物質・エネルギー創成」 計算物質科学イニシアティブ（CMSI）TCCI 第3回実験化学との交流シンポジウム
  • Place of Presentation: 京都大学福井謙一記念研究センター，京都
  • Invited
• [Presentation] 自在回転部位を有するナノ複合分子の機能評価から制御へ
  • Author(s): 河野裕彦
  • Organizer: 物性研スパコン共同利用・CMSI 合同研究会（第４回 CMSI 研究会）－計算物質科学の課題と展望－
  • Place of Presentation: 東京大学柏キャンパス，柏
  • Invited
• [Presentation] 分子の振動励起と化学結合ダイナミクス
  • Author(s): 河野裕彦
  • Organizer: スーパーコンピューターワークショップ2014「計算化学の最新の成果と展開」
  • Place of Presentation: 自然科学研究機構，岡崎
  • Invited
• [Presentation] Ultrafast dissociative ionization of molecules in few-cycle intense laser fields
  • Author(s): A. Hishikawa
  • Organizer: Workshop on "Fundamentals and applications of laser filaments"
  • Place of Presentation: Okazaki, Japan
  • Invited
• [Presentation] 極短レーザーパルスによる超高速反応イメージング
  • Author(s): 菱川明栄
  • Organizer: 日本顕微鏡学会第69回学術講演会
  • Place of Presentation: ホテル阪急エキスポパーク, 吹田
  • Invited
• [Presentation] 数サイクル強レーザーパルスによる超高速反応イメージング
  • Author(s): 菱川明栄
  • Organizer: 分子研シンポジウム2013
  • Place of Presentation: 岡崎コンファレンスセンター, 岡崎
  • Invited
• [Presentation] 強レーザー場におけるNO分子の解離性イオン化：π-σ軌道遷移の効果
  • Author(s): 菱川明栄
  • Organizer: 「新しい光科学の創成とナノ情報デバイスへの展開」研究会
  • Place of Presentation: 東北大学, 仙台
  • Invited
• [Presentation] 数サイクル強レーザーパルスによる超高速反応イメージング
  • Author(s): 菱川明栄
  • Organizer: 第4回統合物質シンポジウム
  • Place of Presentation: 北海道大学, 札幌
  • Invited
• [Presentation] Anisotropic dissociative ionization of electronically excited NO in few-cycle intense laser fields
  • Author(s): A. Hishikawa
  • Organizer: International workshop on theory for attosecond quantum dynamics (IWTAQD) 10
  • Place of Presentation: Chofu, Japan
  • Invited
• [Presentation] Quantum Dynamical Effects Revealed by Nuclear Flux Densities
  • Author(s): Ingo Barth, Christian Bressler, Timm Bredtmann, Thomas Grohmann, Hiroyuki Katsuki, Hirohiko Kono, Shiro Koseki, Joern Manz (invited), Kosuke Nakamura, Kenji Ohmori, Jhon Fredy Perez Torres, Burhard Schmidt, Axel Schild, Christian Stemmle, and Yonggang Yang
  • Organizer: The Copenhagen Conference on Femtochemistry
  • Place of Presentation: Copenhagen, Denmark
  • Invited
• [Presentation] GAMESSの使い方とそのポイント
  • Author(s): 小関史朗
  • Organizer: 情報機構
  • Place of Presentation: 大田区産業プラザ，東京
  • Invited
• [Presentation] 高次高周波発生における時間依存分子軌道の多電子ダイナミクス
  • Author(s): 大村周，小山田隆行，加藤毅，河野裕彦，小関史朗
  • Organizer: 第16回理論化学討論会
  • Place of Presentation: 福岡市健康づくりサポートセンター（あいれふ），福岡
• [Presentation] OLEDに用いられる白金錯体の燐光過程に関する理論的研究
  • Author(s): 小関史朗，鍵田侑希，麻田俊雄
  • Organizer: 第16回理論化学討論会
  • Place of Presentation: 福岡市健康づくりサポートセンター（あいれふ），福岡
• [Presentation] Femtosecond Coulomb explosion and nanosecond statistical fragmentation of highly charged C60＾q+ (q = 8-60)
  • Author(s): Kaoru Yamazaki, Takashi Nakamura, Naoyuki Niitsu, Manabu Kanno, Kiyoshi Ueda, Hirohiko Kono
  • Organizer: 第29回化学反応討論会
  • Place of Presentation: 東北大学，仙台
• [Presentation] Theoretical Investigation of High Harmonic Generation using the Time-Dependent Multiconfiguration Theory
  • Author(s): Shu Ohmura, Takayuki Oyamada, Tsuyoshi Kato, Hirohiko Kono, Shiro Koseki
  • Organizer: 第29回化学反応討論会
  • Place of Presentation: 東北大学，仙台
• [Presentation] 多電子ダイナミクスの原理 －電子配置・分子軌道エネルギー解析－
  • Author(s): 河野 裕彦，大村 周，菅野 学，小山田 隆行，加藤 毅，小関 史朗
  • Organizer: 第７回分子科学討論会
  • Place of Presentation: 京都テルサ，京都
• [Presentation] シロール分子のアモルファス相中における電子移動度の理論的解析
  • Author(s): 前田昂太郎，麻田俊雄，小関史朗
  • Organizer: 第７回分子科学討論会
  • Place of Presentation: 京都テルサ，京都
• [Presentation] 白金錯体における燐光過程の理論的再検討
  • Author(s): 小関史朗，麻田俊雄，松下武司
  • Organizer: 第７回分子科学討論会
  • Place of Presentation: 京都テルサ，京都
• [Presentation] ポリヒドロキシフラーレンの近赤外レーザーによる振動励起と反応に関する理論的研究
  • Author(s): 池田旭伸，北條和彩，菅野学，時子山宏明，山門英雄，大野公一，河野裕彦
  • Organizer: 第７回分子科学討論会
  • Place of Presentation: 京都テルサ，京都
• [Presentation] 強レーザー場誘起の多電子ダイナミクスと複数活性分子軌道のエネルギー解析
  • Author(s): 大村周，小山田隆行，加藤毅，河野裕彦，小関史朗
  • Organizer: 第７回分子科学討論会
  • Place of Presentation: 京都テルサ，京都
• [Presentation] 「分子の花火」～クーロン爆発による超高速反応イメージング
  • Author(s): 菱川明栄
  • Organizer: 第56回日本大学理工学部学術講演会 特別セッション「光と物質の相互作用の最先端」
  • Place of Presentation: 日本大学, 駿河台
  • Invited
• [Presentation] 計算科学と超高速光励起分子のダイナミクス
  • Author(s): 河野裕彦
  • Organizer: 第6回放射光連携研究ワークショップ（第2回RSC/CMSI合同セミナー） ―量子秩序研究/創発物質科学/大規模計算科学の協奏―
  • Place of Presentation: 東京大学山上会館、東京
  • Invited
• [Presentation] Simulation of nuclear dynamics of C60 and its derivatives: From vibrational excitation by near-IR femtosecond laser pulses to subsequent reactions
  • Author(s): Hirohiko Kono, Naoyuki Niitsu, Kaoru Yamazaki, Akinobu Ikeda, Manabu Kanno, Koichiro Mitsuke, Mikito Toda, Stephan Irle
  • Organizer: the International Symposium on Computational Sciences (ISCS2012)
  • Place of Presentation: Shanghai, China
  • Invited
• [Presentation] Electron dynamics of molecules beyond the mean field picture: Multiconfiguration time-dependent Hartree-Fock method
  • Author(s): Hirohiko Kono
  • Organizer: International Symposium on Ultrafast Intense Laser Science 11
  • Place of Presentation: Shilla hotel, Jeju, Korea
  • Invited
• [Presentation] Multielectron Dynamics of Molecules: The Chemical Potentials of Time-Dependent Electron Configurations and Molecular Orbitals
  • Author(s): Hirohiko Kono,Shu Ohmura, Takayuki Oyamada, Tsuyoshi Kato, and Shiro Koseki
  • Organizer: 10th Asian International Seminar on Atomic and Molecular Physics
  • Place of Presentation: Taipei, Taiwan, Republic of China
  • Invited
• [Presentation] Electronic and reaction dynamics of molecules interacting with intense laser pulses
  • Author(s): Hirohiko Kono
  • Organizer: DAE-BRNS Symposium on Atomic, Molecular and Optical Physics (AMOP2012)
  • Place of Presentation: Indian Institute of Science Education and Research-Kolkata (IISER-K), Kolkata, India
  • Invited
• [Presentation] 電子環状反応における置換基効果 ―Ab initio 動力学と光電子脱離スペクトルの理論計算―
  • Author(s): 中村公亮, 菅野 学, 河野裕彦
  • Organizer: 第6回分子科学討論会
  • Place of Presentation: 東京大学、東京
• [Presentation] OLEDに用いられるIrおよびPt錯体における発光過程に関する理論研究
  • Author(s): 小関史朗
  • Organizer: 新化学技術推進協会・先端化学・材料技術部会
  • Place of Presentation: 新化学技術推進協会会議室，東京千代田区・九段
  • Invited
• [Book] "Ab Initio Quantum Dynamical Study on Ultrafast Nonradiative Transition Pathways of Pyrazine" in "Ultrafast Phenomena XIX", edited by K. Yamanouchi, S. Cundiff, R. D. Vivie-Riedle, M. Kuwata-Gonokami and L. DiMauro (2015)
  • Author(s): M. Kanno, Y. Ito, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura
  • Total Pages: 824
  • Publisher: Springer
• [Book] 「金属錯体の量子・計算化学」（山口兆，榊茂好，増田秀樹編著） 第２章 ２．１ 光励起状態とスピン変換 (2014)
  • Author(s): 小関史朗
  • Total Pages: 529
  • Publisher: 三共出版
• [Book] “最新 マイクロ波エネルギーと応用技術“（吉川昇編） 3.2.3 化学反応励起に関する電磁場効果に関する計算化学 (2014)
  • Author(s): 菅野 学、池田旭伸、河野裕彦
  • Publisher: 産業技術サービスセンター
• [Book] “機能性色素の科学“（中澄博行編） 第３章 色素の理論計算 (2013)
  • Author(s): 小関史朗
  • Total Pages: 353
  • Publisher: 化学同人
• [Book] "Heating of liquid water and ice irradiated by far-infrared electromagnetic waves: Theoretical study by quantum mechanical molecular dynamics" in "Proceedings of the 2nd Global Congress on Microwave Energy Applications" , edited by R.L. Schulz, D.C. Folz (2013)
  • Author(s): M. Tanaka, H. Kono, K. Maruyama, and Y. Zempo
  • Total Pages: 562
  • Publisher: The Microwave Working Group, Ltd.
• [Remarks] 東北大学大学院理学研究科化学専攻 数理化学研究室
  • URL: http://www.mcl.chem.tohoku.ac.jp/index-j.html