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

Research Project

Project/Area Number 24245001
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionTohoku 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 *help
¥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.

Report

(5 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • Research Products

    (146 results)

All 2016 2015 2014 2013 2012 Other

All Journal Article (57 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 51 results,  Acknowledgement Compliant: 9 results,  Open Access: 5 results) Presentation (83 results) (of which Int'l Joint Research: 17 results,  Invited: 40 results) Book (5 results) Remarks (1 results)

  • [Journal Article] Imaging electronic excitation of NO by ultrafast laser tunneling ionization2016

    • 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

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Coincidence momentum imaging of asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields2016

    • 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

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Femtosecond two-photon Rabi oscillations in excited He driven by ultrashort intense laser fields2016

    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
  • [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 Investigation2016

    • 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

    • Related Report
      2015 Annual Research Report
    • 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. Gil2016

    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio quantum dynamical analysis of ultrafast nonradiative transitions via conical intersections in pyrazine2015

    • 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

    • Related Report
      2015 Annual Research Report 2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab Initio Quantum Dynamical Analysis of Ultrafast Nonradiative Transitions Pathways of Pyrazine2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Efficient Approach to Obtain Free Energy Gradient using QM/MM MD Simulation2015

    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
    • 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 scheme2015

    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
  • [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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Modulation of Energy Conversion Processes in Carbonaceous Molecular Bearings2015

    • 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

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Mechanism and Experimental Observability of Global Switching Between Reactive and Nonreactive Coordinates at High Total Energies2015

    • 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

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Application of stochastic Liouville-von Neumann equation to electronic energy transfer in FMO complex2015

    • 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

    • Related Report
      2015 Annual Research Report
    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Theoretical Analyses of the Substituent Effects on Phosphorescence in Ir(ppy)32015

    • Author(s)
      Shiro Koseki, Harunobu Yoshinaga, Toshio Asada, and Takeshi Matsushita
    • Journal Title

      RSC Advances

      Volume: 印刷中

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electroabsorption and electrophotoluminescence spectra of some subphthalocyanines2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photoinduced electron transfer in a dynamic supramolecular system with curved π-structures2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Characterization of multielectron dynamics in molecules: A multiconfiguration time-dependent Hartree-Fock picture2014

    • 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

    • Related Report
      2014 Annual Research Report
    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Five-photon sequential double ionization of He in intense extreme-ultraviolet free-electron laser fields2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Photoelectron-photoion correlation in ultrafast multichannel photoionization of Ar2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-resolved laser Coulomb explosion imaging using few-cycle intense laser pulses: Application to exploding CS2 in highly charged states2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Special issue on ultrafast electron and molecular dynamics2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Analyses on Phosphorescent Processes in Pt(thpy)2 and its Derivatives2014

    • 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

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Orbital Analysis of High Harmonic Generation2014

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonadiabatically Coupled π-Electron Rotation and Molecular Vibration in Aromatic Molecules Excited by Polarized UV/Vis Laser Pulses2014

    • Author(s)
      Manabu Kanno, Yukari Ono, Hirohiko Kono, and Yuichi Fujimura
    • Journal Title

      CHINESE JOURNAL OF PHYSICS

      Volume: 52 Pages: 617-651

    • Related Report
      2013 Annual Research Report
    • 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

    • Related Report
      2013 Annual Research Report
  • [Journal Article] Nuclear Flux Densities during a Model Pericyclic Reaction with Energies Well Above and Below the Potential Barrier2013

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] (Communication) Long-lived neutral H2 in hydrogen migration within methanol dication2013

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-resonant EUV-UV two-color two-photon ionization of He studied by single-shot photoelectron spectroscopy2013

    • 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

    • Related Report
      2013 Annual Research Report
    • 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 spectroscopy2013

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Compact XFEL and AMO sciences: SACLA and SCSS2013

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio MCSCF Study on Several Azide Molecules: Energy Component Analysis of the Pseudo-Jahn-Teller Effect2013

    • Author(s)
      Azumao Toyota, Takashi Muramatsu, Shiro Koseki
    • Journal Title

      RSC Advances

      Volume: 3 Issue: 27 Pages: 10775-10785

    • DOI

      10.1039/c3ra41103f

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Investigation of the Reaction Mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) Cluster2013

    • 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

    • Related Report
      2013 Annual Research Report
    • 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

    • Related Report
      2013 Annual Research Report
  • [Journal Article] Photo- and Electroluminescence from Deep Red- and Near Infrared-Phosphorescent tris-Cyclometalated Iridium(III) Complexes Bearing Largely p-Extended Ligands2013

    • 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

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Neutral-fragmentation Paths of Methane Induced by Intense Ultrashort IR Laser2013

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin Orbit Coupling Analyses of the Geometrical Effects on Phosphorescence in Ir(ppy)3 and Its Derivatives2013

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Coherent ring currents in chiral aromatic molecules induced by linearly poalrized UV laser pulses2013

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strong nuclear ring currents and magnetic fields in pseudorotating OsH4 molecule induced by circularly polarized laser pulses2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Time-Dependent Multiconfiguration Theory and Its Application to Ultrafast Electronic Dynamics of Molecules in an Intense Laser Field2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Natural Orbital Analysis of Ultrafast Multielectron Dynamics of Molecules2012

    • 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
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nanosecond simulations of the dynamics of C60 excited by intense near-IR laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Laser-polarization effects on coherent vibronic excitation of molecules with quasi-degenerate excited states2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Investigation of the Structures and Dynamics of Crystalline Molecular Gyroscopes2012

    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules2012

    • 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
    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation2012

    • 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
    • Related Report
      2012 Annual Research Report
    • 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

    • Related Report
      2012 Annual Research Report
    • 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

    • Related Report
      2012 Annual Research Report
    • 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

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Presentation] Reaction dynamics simulation of DNA strand breaks:Analysis based on atom resolved energy and charge2016

    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [Presentation] Dissociative ionization of NO in phase-locked two-color intense laser fields2016

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields2016

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Coincidence momentum imaging of asymmetric Coulomb explosion of CO2 in phase-locked two-color intense laser fields2016

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Molecular dynamics simulation of the strand break processes in model DNAs: Analysis of electron and energy transfer2015

    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [Presentation] Rotational dynamics of a crystalline molecular gyroscope driven by an external terahertz field2015

    • 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
    • Related Report
      2015 Annual Research Report
  • [Presentation] Laser-polarization dependence of atomic/molecular multiphoton excitation within a single-active-electron model of spherical symmetry2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles simulation of the reaction dynamics and Coulomb explosions of C60 induced by ultrashort intense laser pulses2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Dissociative ionization of excited molecules in few-cycle intense laser fields2015

    • Author(s)
      A. Hishikawa
    • Organizer
      International Symposium on Ultrafast Intense Laser Science (ISUILS14)
    • Place of Presentation
      Kauai(USA)
    • Year and Date
      2015-12-09
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular Coulomb explosion and dissociative ionization in asymmetric intense laser fields2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] THz-Driven Internal Rotation in Crystalline Molecular Gyroscopes: Density-Functional-Based Tight-Binding Simulation2015

    • Author(s)
      Manabu Kanno
    • Organizer
      International workshop “Photo-induced Molecular Functioning”
    • Place of Presentation
      Hsinchu, Taiwan
    • Year and Date
      2015-11-16
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [Presentation] Visualizing electron distribution profile in excited molecules by few-cycle intense laser pulses2015

    • Author(s)
      T. Endo
    • Organizer
      International Workshop on Ultrafast Imaging Science
    • Place of Presentation
      Nagoya(Jap4an)
    • Year and Date
      2015-11-04
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Strand Breaks in Model DNAs Induced by the Charge and Energy Transfer among Nucleotides2015

    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [Presentation] Fragment anisotropy on dissociative ionization of NO in two-color intense laser fields2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An Atom Resolved View of Chemical Reactions: Application to Nanocarbons and Model DNAs2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Electron dynamics in nonadiabatic transitions through an avoided crossing: Energy analysis of time-dependent molecular orbitals2015

    • 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
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Dissociative ionization of NO induced by phase-controlled two-color intense laser fields2015

    • 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
    • Related Report
      2015 Annual Research Report
    • 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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [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
    • Related Report
      2015 Annual Research Report
  • [Presentation] An Atom Resolved View of Chemical Reactions: Application to the Dymanics of Nanocarbons and Crystalline Molecular Gyroscopes2015

    • 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
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Dynamics and control of molecular systems: Nanocarbons and crystalline molecular gyroscopes2015

    • 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
    • Related Report
      2014 Annual Research Report
    • 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
    • Related Report
      2014 Annual Research Report
    • 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
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Visualizing ultrafast chemical reactions by few-cycle intense laser pulses2014

    • 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
    • Related Report
      2014 Annual Research Report
    • 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
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Visualizing ultrafast chemical reactions by few-cycle intense laser pulses2014

    • Author(s)
      A. Hishikawa
    • Organizer
      P. N. Lebedev Physical Institute 講演会
    • Place of Presentation
      Moscow (Russia)
    • Year and Date
      2014-09-25
    • Related Report
      2014 Annual Research Report
    • 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
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Dynamics and control of the internal rotations in molecular systems: Crystalline molecular gyroscopes2014

    • 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
    • Related Report
      2014 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
    • 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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
    • 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
    • Related Report
      2012 Annual Research Report
  • [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
    • Related Report
      2012 Annual Research Report
    • 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. DiMauro2015

    • Author(s)
      M. Kanno, Y. Ito, N. Shimakura, S. Koseki, H. Kono and Y. Fujimura
    • Total Pages
      824
    • Publisher
      Springer
    • Related Report
      2014 Annual Research Report
  • [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
    • Related Report
      2014 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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
    • Related Report
      2013 Annual Research Report
  • [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. Folz2013

    • Author(s)
      M. Tanaka, H. Kono, K. Maruyama, and Y. Zempo
    • Total Pages
      562
    • Publisher
      The Microwave Working Group, Ltd.
    • Related Report
      2013 Annual Research Report
  • [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

    • Related Report
      2012 Annual Research Report

URL: 

Published: 2013-05-15   Modified: 2019-07-29  

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