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Non-adiabatic reaction dynamics simulation of biomolecules responding to photons

Research Project

Project/Area Number 20608003
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field 光生命科学
Research InstitutionKyoto University

Principal Investigator

ISHIDA Toshimasa  Kyoto University, 福井謙ー記念研究センター, 准教授 (50212890)

Co-Investigator(Kenkyū-buntansha) NANBU Shinkoh  上智大学, 生命理工学部, 教授 (00249955)
CHENG Wilfred C.  京都大学, 福井謙ー記念研究センター, 研究員 (90467457)
Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2008: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords生体分子 / 原子・分子物理 / 光応答 / 反応動力学 / 非断熱遷移
Research Abstract

We carried out reaction simulations on biomolecules responding to photons, especially retinal molecules in Rhodopsin, which is responsible for our vision. We investigated differences of retinal molecules in responses to photons: how much and how fast they react. The results that we obtained are in agreement with experiments. We found that 9-cis retinal is slower and less to react than 11-cis retinal, which exists in our eyes. This is due to the trajectory trapping in an energy barrier in the excited state produced by photons.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (141 results)

All 2011 2010 2009 2008 Other

All Journal Article (37 results) (of which Peer Reviewed: 28 results) Presentation (99 results) Remarks (4 results) Patent(Industrial Property Rights) (1 results)

  • [Journal Article] Fluorescence properties of 2-aryl substituted indoles2011

    • Author(s)
      M.Nakazono, K.Saita, Y.Oshikawa, K.Tani, S.Nanbu, K.Zaitsu
    • Journal Title

      Spectrochimica Acta Part A

      Volume: 78 Pages: 905-908

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonadiabatic ab lnitio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal2010

    • Author(s)
      Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Journal Title

      J.Phys.Chem.A 114(32)

      Pages: 8190-8201

    • Related Report
      2010 Final Research Report
  • [Journal Article] Future Perspectives of Nonadiabatic Chemical Dynamics2010

    • Author(s)
      Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
    • Journal Title

      Chemical Science 1

      Pages: 663-674

    • Related Report
      2010 Final Research Report
  • [Journal Article] Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine2010

    • Author(s)
      Walid Mohamed Ibrahim Hassan, Wilfredo Credo Chung, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura
    • Journal Title

      Chem.Phys.Phys.Chem. 12

      Pages: 5317-5328

    • Related Report
      2010 Final Research Report
  • [Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylid ene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010

    • Author(s)
      K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
    • Journal Title

      Physica B 405

    • Related Report
      2010 Final Research Report
  • [Journal Article] Unusually High Aromaticity and Diatropicity of Bond-Alternate Benzene2010

    • Author(s)
      Aihara, Jun-ichi, Ishida, Toshimasa
    • Journal Title

      J.Phys.Chem.A 114(2)

      Pages: 1093-1097

    • Related Report
      2010 Final Research Report
  • [Journal Article] Nonadiabatic ab Initio Dynamics of a Model Protonated Schiff Base of 9-cis Retinal2010

    • Author(s)
      Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Journal Title

      J.Phys.Chem.A

      Volume: 114(32) Pages: 8190-8201

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Future Perspectives of Nonadiabatic Chemical Dynamics2010

    • Author(s)
      Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
    • Journal Title

      Chemical Science

      Volume: 1(6) Pages: 663-674

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010

    • Author(s)
      K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
    • Journal Title

      Physica B

      Volume: 405

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine2010

    • Author(s)
      Walid Mohamed Ibrahim Hassan, Wilfredo Credo Chung, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura
    • Journal Title

      Chem.Phys.Phys.Chem.2010, 12, 5317-5328

      Volume: 12 Pages: 5317-5328

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chemiluminescence enhancement of 1,2-di[3,4,5-tri(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzene in the presence of quaternary ammonium ions2010

    • Author(s)
      Manabu Nakazono, Hiroki Agawa, Shinkoh Nanbu, Kiyoshi Zaitsu
    • Journal Title

      Luminescence

      Volume: 25 Pages: 360-363

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Isotopomer fractionation in the UV photolysis of N_2O : 3D ab initio surfaces and anharmonic effects2010

    • Author(s)
      Wei-Chen Chen, Shinkoh Nanbu, Rudolph Arthur Marcus
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 9700-9708

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fluorescence and chemiluminescence properties of indolylmaleimides : experimental and theoretical studies2010

    • Author(s)
      Manabu Nakazono, Ai Jinguji, Shinkoh Nanbu, Ryoichi Kuwano, Zilong Zheng, Kenichiro Saita, Yuji Oshikawa, Yuta Mikuni, Tatsuhiro Murakami, Yi Zhao, Shigeki Sasaki, Kiyoshi Zaitsu
    • Journal Title

      Phys.Chem.Chem.Phys.

      Volume: 12 Pages: 9783-9793

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Control of Chemical Dynamics by Lasers : Theoretical Considerations2010

    • Author(s)
      Alexey D.Kondorskiy, Shinkoh Nanbu, Yoshiaki Teranishi, Hiroki Nakamura
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 6171-6187

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Electronic Spectra of Two Long-Lived Photoproducts. Double-Proton Transfer in 7-Hydroxyquinoline Dimer in a 2-Methyl tetrahydrofuran Glass Matrix2010

    • Author(s)
      Yuko Nagai, Kenichiro Saita, Kenji Sakota, Shinkoh Nanbu, Masahiko Sekine, Munetaka Nakata, Hiroshi Sekiya
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 5041-5048

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Structural and Relaxation Effects in Proton Wire Energetics : Model Studies of the Green Fluorescent Protein Photocycle2010

    • Author(s)
      Q.Sun, S.Wang, H.Zhang, Z.Li, C.Pifisterer, S.Fischer, S.Nanbu, S.C.Smith
    • Journal Title

      Aust.J.Chem.

      Volume: 63 Pages: 363-370

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study of Atomic Hydrogen Interaction with Fluorinated Corannulene Radical2010

    • Author(s)
      Hong Zhang, S.C.Smith, S.Nanbu, H.Nakamura
    • Journal Title

      Aust.J.Chem.

      Volume: 63 Pages: 371-378

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Unusually High Aromaticity and Diatropicity of Bond-Alternate Benzene2010

    • Author(s)
      Aihara, Jun-ichi, Ishida, Toshimasa
    • Journal Title

      J. Phys. Chem. A 114

      Pages: 1093-1097

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ultrafast radiationless transition pathways through conical intersections in photo-excited 9H-adenine2010

    • Author(s)
      Walid Mohamed Ibrahim Hassan, Wilfredo Credo Chung, Noriyuki Shimakura, Shiro Koseki, Hirohiko Kono, Yuichi Fujimura
    • Journal Title

      Phys. Chem. Chem. Phys. 2010(印刷中)

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical studies of absorption cross sections for the C^1B_2-X^1A_1 system of sulfur dioxide and isotope effects2010

    • Author(s)
      Ikuo Tokue, Shinkoh Nanbu
    • Journal Title

      J. Chem. Phys. 132

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009

    • Author(s)
      Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
    • Journal Title

      J.Phys.Chem.A 113(16)

      Pages: 4356-4366

    • Related Report
      2010 Final Research Report
  • [Journal Article] Aromaticity of neutral and doubly charged polyacenes2009

    • Author(s)
      Toshimasa Ishida, Jun-ichi Aihara
    • Journal Title

      Phys.Chem.Chem.Phys. 11

      Pages: 7197-7201

    • Related Report
      2010 Final Research Report
  • [Journal Article] Detection of Free Monomeric Silver(I) and Gold(I) Cyanides, AgCN and AuCN : Microwave Spectra and Molecular Structure2009

    • Author(s)
      Toshiaki Okabayashi, Emi Y.Okabayashi, Fumi Koto, Toshimasa Ishida, Mitsutoshi Tanimoto
    • Journal Title

      J.Am.Chem.Soc. 131(33)

      Pages: 11712-11718

    • Related Report
      2010 Final Research Report
  • [Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009

    • Author(s)
      Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
    • Journal Title

      J. Phys. Chem. A 113

      Pages: 4356-4366

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Aromaticity of neutral and doubly charged polyacenes2009

    • Author(s)
      Toshimasa Ishida, Jun-ichi Aihara
    • Journal Title

      Phys. Chem. Chem. Phys. 11

      Pages: 7197-7201

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Detection of Free Monomeric Silver(I) and Gold(I) Cyanides,AgCN and AuCN : Microwave Spectra and Molecular Structure2009

    • Author(s)
      Toshiaki Okabayashi, Emi Y.Okabayashi, Fumi Koto, Toshimasa Ishida, Mitsutoshi Tanimoto
    • Journal Title

      J. Am. Chem. Soc. 131

      Pages: 11712-11718

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Initial rotational quantum state excitation and isotopic effects for O(1^D)+HCl→OH+Cl (OCl+H)2009

    • Author(s)
      H.Yang, K.-1.Han, S.Nanbu, G.G.Balint-Kurti, H.Zhang, S.C.Smith., M.Hankel
    • Journal Title

      J. Theo. Comp. Chem. 8

      Pages: 1003-1024

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Mechanical Study of Atomic Hydrogen Interaction with Fluorinated Boron-Substituted Coronene Radical2009

    • Author(s)
      H.Zhang, S.C.Smith, S.Nanbu, H.Nakamura
    • Journal Title

      J. Phys. Condensed Matter 21

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study of Photo-physical Properties of Bisindolylma leimide Derivatives2009

    • Author(s)
      Kenichiro Saita, Manabu Nakazono, Kiyoshi Zaitsu, Shinkoh Nanbu, Hiroshi Sekiya
    • Journal Title

      J. Phys. Chem. A 113

      Pages: 8213-8220

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Carbonyl sulfide isotopologues : Ultraviolet absorption cross sections and stratospheric photolysis2009

    • Author(s)
      Sebastian O.Danielache, Shinkoh Nanbu, Matthew S.Johnson, Naohiro Yoshida
    • Journal Title

      J. Chem. Phys. 131

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Non-adiabatic ab initio dynamics of two models of Schiff base retinal2009

    • Author(s)
      Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
    • Journal Title

      J. Phys. Chem. A

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Mechanical Study of Atomic Hydrogen Interaction with Fluorinated Boron-Substituted Coronene Radical2009

    • Author(s)
      H. Zhang, S. C. Smith, S. Nanbu, H. Nakamura
    • Journal Title

      J. Phys. Condensed Matter

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Isotopomer fractionation in thUV photolysis of N_2O : 3. 3D ab initio surfaces and an-harmonic effects2009

    • Author(s)
      Wei-Chen Chen, Shinkoh Nanbu, Rudolph Arthur Marcus
    • Journal Title

      Journal of Geophysical Research

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysis of the Ultraviolet Absorption Cross Sections of OCS Isotopomers2009

    • Author(s)
      Sebastian 0. Danielache, Shinkoh Nanbu, Matthew S. Johnson, Naohiro Yoshida
    • Journal Title

      J. Phys. Chem. A

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Collision Energy Dependence of the O(^1D)+HCl→OH+Cl(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008

    • Author(s)
      Hiroshi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V.Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
    • Journal Title

      J.Phys.Chem.A 112

      Pages: 818-825

    • Related Report
      2010 Final Research Report
  • [Journal Article] Collision Energy Dependence of the O(^1D)+HCl→OH+Cl(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008

    • Author(s)
      Hiroahi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V. Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 818-825

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The cation-πinteractions between poly(3, 4, 5-trihydroxy-benzoate ter)dendrimer and quaternary ammonium ions, and their effect on chemiluminescence2008

    • Author(s)
      Hiroki Agawa, Manabu Nakazono, Shinkoh Nanbu, Kiyoshi Zaitsu
    • Journal Title

      Org. Lett. 10

      Pages: 5171-5174

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] π-共役延長によるIndolylmaleimide蛍光発光の長波長化2011

    • Author(s)
      押川祐二, 中園学, 南部伸孝, 桑野良一, 斉田謙一郎, 財津潔
    • Organizer
      第131回日本薬学会年会 29P-0139
    • Place of Presentation
      ツインメッセ静岡(静岡)
    • Year and Date
      2011-03-29
    • Related Report
      2010 Annual Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal2010

    • Author(s)
      Chung, Wilfredo Credo, Nanbu Shinkoh, Ishida Toshimasa
    • Organizer
      The international Chemical Congress of Pacific Basin Societies (Pacifichem2010)
    • Place of Presentation
      Honolulu, Hawaii, USA.
    • Year and Date
      2010-12-18
    • Related Report
      2010 Final Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of 11-cis retinal2010

    • Author(s)
      Ishida Toshimasa, Chung, Wilfredo Credo, Nanbu Shinkoh
    • Organizer
      The international Chemical Congress of Pacific Basin Societies(Pacifichem2010)
    • Place of Presentation
      Honolulu, Hawaii, USA.
    • Year and Date
      2010-12-17
    • Related Report
      2010 Final Research Report
  • [Presentation] CooAタンパク質とCOとの反応に関する理論的研究2010

    • Author(s)
      石由俊正、青野重利
    • Organizer
      第8回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念研究センター(京都)
    • Year and Date
      2010-12-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] On the mechanism of the structural decoy action of LMP1 over CD40 in relation to Epstein-Barn virus infection : an essential dynamics approach2010

    • Author(s)
      Wilfredo Credo Chung, Toshimasa Ishida
    • Organizer
      第8回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都大学福井謙一記念研究センター(京都)
    • Year and Date
      2010-12-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] 半古典ガウス波束伝播法による励起状態動力学-大自由度系への適用2010

    • Author(s)
      斉田謙一郎, Alexey D.Kondorskiy, 南部伸孝
    • Organizer
      第8回京都大学福井謙一記念研究センターシンポジウム,P24
    • Place of Presentation
      京都大学福井謙一記念研究センター(京都)
    • Year and Date
      2010-12-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] インドリルマレイミド誘導体の蛍光・化学発光2010

    • Author(s)
      中園学, 押川祐二, 神宮司愛, 斉田謙一郎, 桑野良一, 南部伸孝, 財津潔
    • Organizer
      生物発光化学発光研究会第27回学術講演会
    • Place of Presentation
      昭和大学
    • Year and Date
      2010-10-30
    • Related Report
      2010 Annual Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of a model protonated Schiff base of 9-cis retinal2010

    • Author(s)
      Chung, Wilfredo Credo ; Nanbu, Shinkoh, Ishida, Toshimasa
    • Organizer
      The international Chemical Congress of Pacific Basin Societies(Pacifichem2010)
    • Place of Presentation
      Honolulu, Hawaii, USA.
    • Year and Date
      2010-10-18
    • Related Report
      2010 Annual Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of 11-cis retinal2010

    • Author(s)
      Ishida, Toshimasa ; Chung, Wilfredo Credo ; Nanbu, Shinkoh
    • Organizer
      The international Chemical Congress of Pacific Basin Societies (Pacifichem2010)
    • Place of Presentation
      Honolulu, Hawaii, USA.
    • Year and Date
      2010-10-17
    • Related Report
      2010 Annual Research Report
  • [Presentation] Hindered cis-trans isomerization in 9-cis retinal : a two-state model dynamics simulation2010

    • Author(s)
      Chung Wilfredo Credo,南部伸孝,石田俊正
    • Organizer
      第4回分子科学討論会2010 4PO92
    • Place of Presentation
      豊中
    • Year and Date
      2010-09-17
    • Related Report
      2010 Final Research Report
  • [Presentation] CooAタンパク質のCOとの一連の反応に関する理論的研究2010

    • Author(s)
      石田俊正、青野重利
    • Organizer
      第4回分子科学討論会2010 4P089
    • Place of Presentation
      大阪大学(豊中)
    • Year and Date
      2010-09-17
    • Related Report
      2010 Annual Research Report
  • [Presentation] Hindered cis-trans isomerization in 9-cis retinal : a two-state model dynamics simulation2010

    • Author(s)
      Chung Wilfredo Credo, 南部伸孝, 石田俊正
    • Organizer
      第4回分子科学討論会2010 4P092
    • Place of Presentation
      大阪大学(豊中)
    • Year and Date
      2010-09-17
    • Related Report
      2010 Annual Research Report
  • [Presentation] 大次元系励起状態動力学のための半古典理論2010

    • Author(s)
      斉田謙一郎, Alexey D.Kondorskiy, 南部伸孝
    • Organizer
      第4回分子科学討論会,4E04
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-17
    • Related Report
      2010 Annual Research Report
  • [Presentation] CooAタンパク質のCOとの一連の反応に関する理論的研究2010

    • Author(s)
      石田俊正、青野重利
    • Organizer
      第4回分子科学討論会2010 2PO89
    • Place of Presentation
      豊中
    • Year and Date
      2010-09-15
    • Related Report
      2010 Final Research Report
  • [Presentation] 亜酸化窒素の光分解反応による同位体濃縮現象の理論的評価2010

    • Author(s)
      遠藤多慶人, 南部伸孝
    • Organizer
      第4回分子科学討論会,1P106
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-14
    • Related Report
      2010 Annual Research Report
  • [Presentation] インドリルマレイミド誘導体の光物理過程に関する理論的研究2010

    • Author(s)
      村上龍大, 斉田謙一郎, 中園学, 南部伸孝
    • Organizer
      第4回分子科学討論会1P119
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-14
    • Related Report
      2010 Annual Research Report
  • [Presentation] 微結晶状態における4'-N,N-dialkylamino-3-methoxyflavoneの光異性化による特異的な発光スペクトルの観測2010

    • Author(s)
      清田一穂, 日野和之, 中野博文, 中島清彦, 中垣雅之, 斉田謙一郎, 南部伸孝, 関谷博
    • Organizer
      第4回分子科学討論会,1P037
    • Place of Presentation
      大阪大学(大阪)
    • Year and Date
      2010-09-14
    • Related Report
      2010 Annual Research Report
  • [Presentation] 光解離反応における同位体分別に関する理論研究2010

    • Author(s)
      南部伸孝
    • Organizer
      2010年度日本地球化学会年会3C08
    • Place of Presentation
      立正大学熊谷キャンパス(埼玉)(招待)
    • Year and Date
      2010-09-09
    • Related Report
      2010 Annual Research Report
  • [Presentation] 亜酸化窒素の光分解反応による同位体濃縮現象の理論的評価2010

    • Author(s)
      遠藤多慶人, 南部伸孝
    • Organizer
      2010年度日本地球化学会年会2P36(01-P04)
    • Place of Presentation
      立正大学(熊谷)
    • Year and Date
      2010-09-08
    • Related Report
      2010 Annual Research Report
  • [Presentation] 地球流出O^+の同位体分別の量子化学計算:Earth wind仮説の検証2010

    • Author(s)
      山田明憲, 南部伸孝, 笠井康子, 小嶋稔
    • Organizer
      2010年度日本地球化学会年会2P38(18-P01)
    • Place of Presentation
      立正大学(熊谷)
    • Year and Date
      2010-09-08
    • Related Report
      2010 Annual Research Report
  • [Presentation] Theoretical Study on Photoionization2010

    • Author(s)
      石田俊正
    • Organizer
      Mindanao State University of Science and Technology
    • Place of Presentation
      Cagayan de Oro, Philippines
    • Year and Date
      2010-09-07
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical Study on Photoionization2010

    • Author(s)
      Toshimasa Ishida
    • Organizer
      Mindanao State University of Science and Technology
    • Place of Presentation
      Cagayan de Oro, Philippines(Invited)
    • Year and Date
      2010-09-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] Computational Studies on Some Important Molecules2010

    • Author(s)
      Wilfredo C.Chung
    • Organizer
      Mindanao State University of Science and Technology
    • Place of Presentation
      Cagayan de Oro, Philippines(Invited)
    • Year and Date
      2010-09-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] Theoretical Study on Photoionization2010

    • Author(s)
      石田俊正
    • Organizer
      Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology(Invited)
    • Place of Presentation
      Iligan, Philippines
    • Year and Date
      2010-09-06
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical Study on Photoionization2010

    • Author(s)
      Toshimasa Ishida
    • Organizer
      Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology
    • Place of Presentation
      Iligan, Philippines(Invited)
    • Year and Date
      2010-09-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] Computational Studies on Some Important Molecules2010

    • Author(s)
      Wilfredo C.Chung
    • Organizer
      Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology
    • Place of Presentation
      Iligan, Philippines(Invited)
    • Year and Date
      2010-09-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] ペニングイオン化の理論的研究2010

    • Author(s)
      石田俊正
    • Organizer
      化学反応のポテンシャル曲面とダイナミックス~加藤重樹先生の足跡をたどって~
    • Place of Presentation
      京都大学理学研究科(京都)
    • Year and Date
      2010-06-19
    • Related Report
      2010 Annual Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of an isorhodopsin model system based on the Zhu-Nakamura theory2010

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      第26回化学反応討論会2P45
    • Place of Presentation
      東広島
    • Year and Date
      2010-06-03
    • Related Report
      2010 Final Research Report
  • [Presentation] Nonadiabatic ab initio dynamics of an isorhodopsin model system based on the Zhu-Nakamura theory2010

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      第26回化学反応討論会
    • Place of Presentation
      広島大学(東広島)
    • Year and Date
      2010-06-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] A theoretical evaluation of isotopic enrichment phenomena due to the photolysis of nitrous oxide2010

    • Author(s)
      遠藤多慶人, 南部伸孝
    • Organizer
      第26回化学反応討論会,2P9
    • Place of Presentation
      広島大学(東広島)
    • Year and Date
      2010-06-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] Photo-dissociation dynamics of SO studied by wave packet propagation method2010

    • Author(s)
      徳江郁雄, 小澤直斗, 南部伸孝
    • Organizer
      第26回化学反応討論会,2P44
    • Place of Presentation
      広島大学(東広島)
    • Year and Date
      2010-06-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] Theoretical study on reaction of CooA protein with carbon monoxide2010

    • Author(s)
      石田俊正, 青野重利
    • Organizer
      第26回化学反応討論会1P46
    • Place of Presentation
      東広島
    • Year and Date
      2010-06-02
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical study on reaction of CooA protein with carbon monoxide2010

    • Author(s)
      Ishida, Toshimasa, Aono, Shigetoshi
    • Organizer
      第26回化学反応討論会1P46
    • Place of Presentation
      広島大学(東広島)
    • Year and Date
      2010-06-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] 9-cisレチナールの光異性化の理論的研究2010

    • Author(s)
      Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      第13回理論化学討論会1PO3
    • Place of Presentation
      札幌
    • Year and Date
      2010-05-23
    • Related Report
      2010 Final Research Report
  • [Presentation] 9-cisレチナールの光異性化の理論的研究2010

    • Author(s)
      Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      第13回理論化学討論会1P03
    • Place of Presentation
      北海道大学(札幌)
    • Year and Date
      2010-05-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] ヨウ素置換テトラチアフルバレノチオキノン(およびキノン)-1,3-ジチオールメチドの合成、結晶構造解析およびDFT計算による分子間相互作用の評価2010

    • Author(s)
      植田一正・鈴木健太・与座健治・石田俊正
    • Organizer
      日本化学会第90春季年会(2010)
    • Place of Presentation
      大阪
    • Year and Date
      2010-03-28
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナールの光異性化の理論的研究-二面角の変化-2010

    • Author(s)
      石田俊正、南部伸孝、中村宏樹
    • Organizer
      文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発 第4回公開シンポジウム
    • Place of Presentation
      岡崎
    • Year and Date
      2010-03-04
    • Related Report
      2009 Annual Research Report
  • [Presentation] Hydrogen encapsulation using non-adiabatic tunneling2010

    • Author(s)
      Shinkoh NANBU
    • Organizer
      69^<th> Okazaki Conference on "New frontier in quantum chemical dynamics"(招待講演)
    • Place of Presentation
      Okazaki
    • Year and Date
      2010-02-23
    • Related Report
      2009 Annual Research Report
  • [Presentation] Non-adiabatic dynamics with semiclassical trajectories : applications to photo-isomerization2010

    • Author(s)
      Shinkoh NANBU
    • Organizer
      The International Chemical Congress of Pacific Basin Societies(Pacifichem 2010).
    • Place of Presentation
      Hawaii, USA(Invited)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 大気化学輸送モデルを用いたN2Oアイソトポマー全球収支の長期変化の推定2010

    • Author(s)
      石島健太郎、豊田栄、須藤健悟、滝川雅之、青木周司、中澤高清、吉川知里、南部伸孝、吉田尚弘
    • Organizer
      第16回大気化学討論会,P-25
    • Place of Presentation
      首都大学東京(東京)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 一酸化硫黄同位体の光解離反応と質量同位体分別に関する理論的研究2010

    • Author(s)
      井澤孝宏, 小澤直斗, 徳江郁雄, 南部伸孝, Alexey D.Kondorskiy
    • Organizer
      第16回大気化学討論会,P-26
    • Place of Presentation
      首都大学東京(東京)
    • Related Report
      2010 Annual Research Report
  • [Presentation] 大気科学における同位体濃縮現象2010

    • Author(s)
      南部伸孝
    • Organizer
      第8回同位体科学研究会(招待講演)
    • Place of Presentation
      産業総合技術研究所 臨界副都心センター
    • Related Report
      2009 Annual Research Report
  • [Presentation] 光化学反応のシミュレーション-非断熱遷移反応動力学2009

    • Author(s)
      石田俊正
    • Organizer
      第7回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都
    • Year and Date
      2009-12-04
    • Related Report
      2009 Annual Research Report
  • [Presentation] Non-adiabatic ab initio dynamics of a model protonated Schiff base of 9-cisretinal2009

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      第7回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都
    • Year and Date
      2009-12-04
    • Related Report
      2009 Annual Research Report
  • [Presentation] Time-dependent quantum dynamics simulation of the 1πσ^* photochemical relaxation of 9H-adenine2009

    • Author(s)
      Wilfredo Credo Chung, Andreas Markmann, Noriyuki Shimakura, Hirohiko Kono, Wolfgang Domcke, Yuichi Fujimura
    • Organizer
      11th SPVM National Physics Conference and Workshop
    • Place of Presentation
      Butuan, Philippines
    • Year and Date
      2009-10-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] Comparative Essential Dynamics of Protein-Protein Interaction2009

    • Author(s)
      Wilfredo Credo Chung, Toshimasa Ishida
    • Organizer
      第3回分子科学討論会2009 4P143
    • Place of Presentation
      名古屋
    • Year and Date
      2009-09-24
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009

    • Author(s)
      石田俊正、Wilfredo Credo Chung、南部伸孝、中村宏樹
    • Organizer
      第3回分子科学討論会2009
    • Place of Presentation
      名古屋
    • Year and Date
      2009-09-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] Comparative Essential Dynamics of Protein-Protein Interaction2009

    • Author(s)
      Wilfredo Credo Chung, Toshimasa Ishida
    • Organizer
      第3回分子科学討論会2009
    • Place of Presentation
      名古屋
    • Year and Date
      2009-09-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] 半古典理論を用いた励起状態動力学:ビスインドリルマレイミド誘導体の蛍光過程2009

    • Author(s)
      斉田謙一郎, KondorskiyAlexey, 中園学, 財津潔, 南部伸孝, 関谷博
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学(名古屋)
    • Year and Date
      2009-09-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] 量子化学計算と半古典動力学によるインドリルマレイミドの光物理渦程の研究2009

    • Author(s)
      鄭子龍, 斉田謙一郎, 村上龍大, 中園学, 財津潔, 関谷博, 南部伸孝
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学(名古屋)
    • Year and Date
      2009-09-24
    • Related Report
      2009 Annual Research Report
  • [Presentation] SO_2(X-C)遷移の光吸収・ケイ光過程2009

    • Author(s)
      徳江郁雄, 南部伸孝
    • Organizer
      第3回分子科学討論会
    • Place of Presentation
      名古屋大学(名古屋)
    • Year and Date
      2009-09-23
    • Related Report
      2009 Annual Research Report
  • [Presentation] Non-adiabatic ab initio dynamics of Schiff base retinal2009

    • Author(s)
      石田俊正
    • Organizer
      The 3^<rd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry(Invited)
    • Place of Presentation
      Blatislava, Slovak
    • Year and Date
      2009-09-10
    • Related Report
      2010 Final Research Report
  • [Presentation] Non-adiabatic ab initio dynamics of Schiff base retinal2009

    • Author(s)
      Toshimasa Ishida
    • Organizer
      The 3^<rd> Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry(招待講演)
    • Place of Presentation
      Blatislava, Slovak
    • Year and Date
      2009-09-10
    • Related Report
      2009 Annual Research Report
  • [Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009

    • Author(s)
      石田俊正、Wilfredo Credo Chung、南部伸孝、中村宏樹
    • Organizer
      第3回分子科学討論会2009 4P095
    • Place of Presentation
      名古屋
    • Year and Date
      2009-09-04
    • Related Report
      2010 Final Research Report
  • [Presentation] 一酸化二窒素同位体の光分解と同位体効果2009

    • Author(s)
      南部伸孝
    • Organizer
      宇宙地球同位体科学セミナー(2009年度)(招待講演)
    • Place of Presentation
      東京大学
    • Year and Date
      2009-06-11
    • Related Report
      2009 Annual Research Report
  • [Presentation] Does the intramolecular charge transfer (IDT) occur in bisindolylmaleimide derivatives?2009

    • Author(s)
      Kenichiro Saita, Manabu Nakazono, Shinkoh Nanbu, Kiyoshi Zaitsu, Hiroshi Sekiya
    • Organizer
      第25回化学反応討論会
    • Place of Presentation
      大宮ソニックシティビル(大宮)
    • Year and Date
      2009-06-02
    • Related Report
      2009 Annual Research Report
  • [Presentation] Analysis of ab initio trajectories in retinal photoisomerization2009

    • Author(s)
      Toshimasa Ishida, Wilfredo C. Chung, Shinkoh Nanbu, Hiroki Nakamura
    • Organizer
      第25回化学反応討論会1EO1
    • Place of Presentation
      大宮
    • Year and Date
      2009-06-01
    • Related Report
      2010 Final Research Report
  • [Presentation] Comparative Essential Dynamics of the Interaction of Human TRAF3 with Human CD40 and Epstein-Barr Virus LMP1 proteins2009

    • Author(s)
      Wilfredo Credo Chung, Toshimasa Ishida
    • Organizer
      第25回化学反応討論会1P17
    • Place of Presentation
      大宮
    • Year and Date
      2009-06-01
    • Related Report
      2010 Final Research Report
  • [Presentation] Analysis of ab initio trajectories in retinal photoisomerization2009

    • Author(s)
      Toshimasa Ishida, Wilfredo C.Chung, Shinkoh Nanbu, Hiroki Nakamura
    • Organizer
      第25回化学反応討論会
    • Place of Presentation
      大宮
    • Year and Date
      2009-06-01
    • Related Report
      2009 Annual Research Report
  • [Presentation] Isotope effects in the photodissociation cross section of SO_22009

    • Author(s)
      Ikuo Tokue, Shinkoh Nanbu
    • Organizer
      第25回化学反応討論会
    • Place of Presentation
      大宮ソニックシティビル(大宮)
    • Year and Date
      2009-06-01
    • Related Report
      2009 Annual Research Report
  • [Presentation] Ultraviolet Absorption Cross Sections of Isotopically Substituted Carbonyl Sulfide Species2009

    • Author(s)
      Shinkoh Nanbu, Sebastian O.Danielache, Matthew S.Johnson, Naohiro Yoshida
    • Organizer
      第25回化学反応討論会
    • Place of Presentation
      大宮ソニックシティビル(大宮)
    • Year and Date
      2009-06-01
    • Related Report
      2009 Annual Research Report
  • [Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009

    • Author(s)
      石田俊正、Chung Wilfredo Credo、南部伸孝、中村宏樹
    • Organizer
      第12回理論化学討論会1P25
    • Place of Presentation
      東京
    • Year and Date
      2009-05-28
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナールの非断熱遷移ab initioトラジェクトリ計算2009

    • Author(s)
      石田俊正、Chung Wilfredo Credo、南部伸孝、中村宏樹
    • Organizer
      第12回理論化学討論会
    • Place of Presentation
      東京
    • Year and Date
      2009-05-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] 非断熱遷移トラジェクトリプログラムの開発と生体分子への応用2009

    • Author(s)
      石田俊正, 南部伸孝, 中村宏樹
    • Organizer
      次世代ナノ統合シミュレーションソフトウェア説明会
    • Place of Presentation
      東京
    • Year and Date
      2009-03-11
    • Related Report
      2008 Annual Research Report
  • [Presentation] レチナールの光異1生化に関するab initio動力学2009

    • Author(s)
      石田俊正
    • Organizer
      先駆的科学計算に関するフォーラム2009分子科学計算「研究報告及び紹介と新システムの紹介(招待)
    • Place of Presentation
      福岡
    • Year and Date
      2009-03-09
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナールの光異性化に関するab initio動力学2009

    • Author(s)
      石田俊正
    • Organizer
      先駆的科学計算に関するフォーラム2009 分子科学計算「研究報告及び紹介と新システムの紹介」
    • Place of Presentation
      福岡
    • Year and Date
      2009-03-09
    • Related Report
      2008 Annual Research Report
  • [Presentation] 生体分子光異性化の非断熱遷移トラジェクトリの解析2009

    • Author(s)
      石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
    • Organizer
      文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発 第3回公開シンポジウム
    • Place of Presentation
      岡崎
    • Year and Date
      2009-03-05
    • Related Report
      2008 Annual Research Report
  • [Presentation] Indolylmaleimide誘導体の合成及びその蛍光特性2009

    • Author(s)
      押川祐二, 中園学, 神宮司愛, 南部伸孝, 桑野良一, 斉田謙一郎, 三国優太, 財津潔
    • Organizer
      第26回日本薬学会九州支部大会
    • Place of Presentation
      九州大学(福岡)
    • Related Report
      2009 Annual Research Report
  • [Presentation] 3-amino-N-(7' -methoxy-4' -methylcoumaryl) phthalimideの分子内エネルギー移動2009

    • Author(s)
      中園学, 斉田謙一郎, 栗原千佳, 押川祐二, 中園学, 神宮司愛, 南部伸孝, 財津潔
    • Organizer
      第26回日本薬学会九州支部大会
    • Place of Presentation
      九州大学(福岡)
    • Related Report
      2009 Annual Research Report
  • [Presentation] 生体分子の非断熱遷移トラジェクトリの解析2008

    • Author(s)
      石田俊正, 南部伸孝, 中村宏樹
    • Organizer
      第6回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Nonradiative relaxation processes of the 1Bu state of short all-trans polyenes : a theoretical perspective2008

    • Author(s)
      Wilfredo C. Chung, Toshimasa Ishida, Shinkoh Nanbu
    • Organizer
      第6回京都大学福井謙一記念研究センターシンポジウム
    • Place of Presentation
      京都
    • Year and Date
      2008-12-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ultraviolet Absorption Cross Sections of Isotopically Substituted Carbonyl Sulfide Species2008

    • Author(s)
      Shinkoh Nanbu, Sebastian O. Danielache, Matthew S. Johnson
    • Organizer
      The 4th International Symposium on Isotopomers (TST2008)
    • Place of Presentation
      東京
    • Year and Date
      2008-10-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] ^<32>S/^<33>S/^<34>S and ^<36>S Kinetic Fractionation Effects in the Reaction of OCS with OH Radical2008

    • Author(s)
      Sebastian O. Danielache, Matthew S. Johnson, Shinkoh Nanbu, Mette M. L. Grage, Chris McLinden, Naohiro Yoshida
    • Organizer
      The 4th International Symposium on Isotopomers (ISI2008)
    • Place of Presentation
      東京
    • Year and Date
      2008-10-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] レチナール光異性化の非断熱遷移トラジェクトリの解析2008

    • Author(s)
      石田俊正、Wilfredo C.Chung、南部伸孝、中村宏樹
    • Organizer
      分子科学討論会2008(3P069)
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナール光異性化の非断熱遷移トラジェクトリの解析2008

    • Author(s)
      石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
    • Organizer
      分子科学討論会2008
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] The 1^1Bu Lifetime of Short All-Trans Polyenes : A Theoretical Study2008

    • Author(s)
      Wilfredo C. Chung, 南部伸孝, 石田俊正
    • Organizer
      分子科学討論会2008
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] ビスインドリルマレイミド誘導体の光吸収・発光および電荷移動に関する理論的研究2008

    • Author(s)
      斉田謙一郎, 南部伸孝, 中園学, 財津潔, 関谷博
    • Organizer
      第2回分子科学討論会
    • Place of Presentation
      福岡
    • Year and Date
      2008-09-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] The 1^1B_u Lifetime of Short All-Trans Polyenes : A Theoretical Study2008

    • Author(s)
      Wilfredo C.Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC 2008) (PP330)
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2008-09-15
    • Related Report
      2010 Final Research Report
  • [Presentation] Dynamics of Isomerization of Cycohexadiene to Hexatriene and Laser Control of the Dynamics2008

    • Author(s)
      Hiroyuki Tamura, Shinkoh Nanbu, Toshimasa Ishida, Hiroki
    • Organizer
      The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2008-09-15
    • Related Report
      2008 Annual Research Report
  • [Presentation] The 1^1Bu Lifetime of Short All-Trans Polyenes : A Theoretical Study2008

    • Author(s)
      Wilfredo C. Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 2008 World Congress of the World Association of Theoretical and Computational Chemists (WATOC
    • Place of Presentation
      Sydney, Australia
    • Year and Date
      2008-09-15
    • Related Report
      2008 Annual Research Report
  • [Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2008

    • Author(s)
      南部伸孝, 石田俊正, 中村宏樹
    • Organizer
      Gordon Research Conference (Molecular & Ionic Clusters)
    • Place of Presentation
      Aussois FRANCE
    • Year and Date
      2008-09-07
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical Measurement of the S2 Lifetime of Short All-Trans Polyenes2008

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 4^<th> conference on Coherent Multidimensional Spectroscopy(CMDS2008)
    • Place of Presentation
      Kyoto
    • Year and Date
      2008-08-28
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical Measurement of the S_2 Lifetime of Short All-Trans Polyenes2008

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 4th conference on Coherent Multidimensional Spectroscopy (CMDS2008)
    • Place of Presentation
      京都
    • Year and Date
      2008-08-28
    • Related Report
      2008 Annual Research Report
  • [Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008

    • Author(s)
      Shinkoh Nanbu, Hong ZHANG, Toshimasa Ishida, Sean C.Smith, Hiroki NAKAMURA
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC01)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-06-06
    • Related Report
      2010 Final Research Report
  • [Presentation] Ab inito non-adiabatic dynamics for a biomolecule2008

    • Author(s)
      Toshimasa Ishida, Wilfredo C.Chung, Shinkoh Nanbu
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC02)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-06-06
    • Related Report
      2010 Final Research Report
  • [Presentation] First Principle Calculation of the S2-S1(1^1B_u-2^1A_g) Conical Intersection of Small All-Trans Polyenes and its Implication to the 1^1B_u Lifetime2008

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience (3P-CC03)
    • Place of Presentation
      Tokyo
    • Year and Date
      2008-06-06
    • Related Report
      2010 Final Research Report
  • [Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008

    • Author(s)
      Shinkoh NANBU, Hong ZHANG, Toshimasa ISHIDA, Sean C. Smith, Hiroki NAKAMURA
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      東京
    • Year and Date
      2008-06-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab inito non-adiabatic dynamics for a biomolecule2008

    • Author(s)
      Toshimasa Ishida, Wilfredo C. Chung, Shinkoh Nanbu
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      東京
    • Year and Date
      2008-06-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] First Principle Calculation of the S_2-S_1(1^1Bu-2^1Ag) Conical Intersection of Small All-Trans Polyenes and its Implication to the 1^1Bu Lifetime2008

    • Author(s)
      Wilfredo Credo Chung, Shinkoh Nanbu, Toshimasa Ishida
    • Organizer
      The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      東京
    • Year and Date
      2008-06-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] Theoretical investigation of the 1^1B_u lifetime of small all-trans polyenes2008

    • Author(s)
      W.C.Chung, Shinkoh Nanbu, T. Ishida
    • Organizer
      第24回化学反応討論会2P18
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-03
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical investigation of the 1^1Bu lifetime of small all-trans polyenes2008

    • Author(s)
      W. C. Chung, Shinkoh Nanbu, T. Ishida
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] ビスインドリルマレイミド誘導体の光吸収および発光に関する理論的研究2008

    • Author(s)
      斉田謙一郎, 南部伸孝, Alexey D. Kondorskiy, 中村宏樹
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] 硫化水素(H_2S, HDS)の光解離過程における同位体効果2008

    • Author(s)
      脇川佑介, 徳江郁雄, 南部伸孝
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] レチナールcis-trans異性化のab initioトラジェクトリ解析2008

    • Author(s)
      石田俊正、Wilfredo C.Chung、南部伸孝、中村宏樹
    • Organizer
      第24回化学反応討論会1P25
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-02
    • Related Report
      2010 Final Research Report
  • [Presentation] 水素分子吸蔵へ向けた分子設計2008

    • Author(s)
      南部伸孝、石田俊正、Alexey D.Kondorskiy、中村宏樹
    • Organizer
      第24回化学反応討論会 1P39
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-02
    • Related Report
      2010 Final Research Report
  • [Presentation] レチナールcis-trans異性化のab initioトラジェクトリ解析2008

    • Author(s)
      石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 水素分子吸蔵へ向けた分子設計2008

    • Author(s)
      南部伸孝, 石田俊正, Alexey D. Kondorskiy, 中村宏樹
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 二酸化硫黄の光解離過程における同位体効果2008

    • Author(s)
      徳江郁雄, 南部伸孝
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      札幌
    • Year and Date
      2008-06-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] 一酸化二窒素の光分解と同位体効果2008

    • Author(s)
      南部伸孝, 徳江郁雄
    • Organizer
      日本地球惑星科学連合
    • Place of Presentation
      幕張、千葉
    • Year and Date
      2008-05-26
    • Related Report
      2008 Annual Research Report
  • [Remarks] ホームページ等

    • URL

      http://www.fukui.kyoto-u.ac.jp/users/ishida/public_html/index.html

    • Related Report
      2010 Final Research Report
  • [Remarks]

    • URL

      http://www.fukui.kyoto-u.ac.jp/users/ishida/public_html/ishida.htm

    • Related Report
      2010 Annual Research Report
  • [Remarks]

    • URL

      http://www.fukui.kyoto-u.ac.jp/publication/PublicationTop.htm

    • Related Report
      2009 Annual Research Report
  • [Remarks]

    • URL

      http://www.fukui.kyoto-u.ac.jp/publication/PublicationTop.htm

    • Related Report
      2008 Annual Research Report
  • [Patent(Industrial Property Rights)] 光学活性分子の絶対配置決定方法、絶対配置決定装置、及びプログラム2010

    • Inventor(s)
      田中康隆・石田俊正
    • Industrial Property Rights Holder
      国立大学法人 静岡大学
    • Filing Date
      2010-07-16
    • Related Report
      2010 Final Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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