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Emergence and Control of Molecular Functions using Nonadiabatic Phenomena

Research Project

Project/Area Number 19350013
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionKyushu University

Principal Investigator

NANBU Shinkoh  Kyushu University, 理工学部, 教授 (00249955)

Co-Investigator(Kenkyū-buntansha) ISHIDA Toshimasa  京都大学, 福井謙一記念研究センター, 准教授 (50212890)
TOKUE Ikuo  新潟大学, 自然科学系, 教授 (90101063)
NAKAMURA Hiroki  , 分子科学研究所, 所長 (10010935)
Project Period (FY) 2007 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥18,980,000 (Direct Cost: ¥14,600,000、Indirect Cost: ¥4,380,000)
Fiscal Year 2009: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2008: ¥5,590,000 (Direct Cost: ¥4,300,000、Indirect Cost: ¥1,290,000)
Fiscal Year 2007: ¥7,800,000 (Direct Cost: ¥6,000,000、Indirect Cost: ¥1,800,000)
Keywords励起分子素過程 / 非断熱現象 / 非断熱遷移 / 大気科学 / 地球科学 / 水素吸蔵 / 量子ダイナミクス / 半古典動力学 / 電荷移動反応 / 化学反応動力学 / 電子励起状態 / レーザー光による反応制御 / 凍結ガウス関数発展法 / 線形応答理論
Research Abstract

Quantum phenomena often provide us the key function in various field ; the non-adiabatic phenomena would most remarkably show the uniqueness on the molecular functions. In the present work, we have started to clarify this phenomenon in bio-system, and the new reaction mechanism has been proposed with using generic basic theory based on the Zhu-Nakamura theory. On the other hand, we have also tried to get emerging molecular functional and reaction control with the use of this quantum phenomenon. Finally, we have succeeded in experimental demonstration. At the end of this work, the international conference has been organized in Institute for Molecular Science to sum up our work. The purpose of the conference is especially for cutting-edge researchers working on molecular dynamics to come together and discuss the most recent results, approaches, and tendencies in the area of the treating and control of the quantum effects in chemical physics. To enable this to take place, 4 topics have been organized ;
1. Basic Theory and Concepts of Chemical Dynamics
2. Semiclassical Theory of Chemical Reactions and Non-adiabatic Processes
3. Quantum Effects in Condensed Phases
4. Molecular Design and Control of Molecular Functions
66 participants have joined in this conference and 30 papers were reported within 3 days.

Report

(4 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (99 results)

All 2010 2009 2008 2007 Other

All Journal Article (48 results) (of which Peer Reviewed: 48 results) Presentation (49 results) Remarks (2 results)

  • [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 114

      Pages: 5041-5048

    • Related Report
      2009 Final 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. 63

      Pages: 363-370

    • Related Report
      2009 Final 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. 63

      Pages: 371-378

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical studies of absorption cross sections for the C1B2-X1A1 system of sulfur dioxide and isotope effects2010

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

      J. Chem. Phys. 132

    • Related Report
      2009 Final 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. 63

      Pages: 371-378

    • Related Report
      2009 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. 63

      Pages: 363-370

    • 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] 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] Mass-independent oxygen isotope fractionation in earth wind: first principles calculation2009

    • Author(s)
      A. Yamada, S. Nanbu, Y. Kasai, M. Ozima
    • Journal Title

      Meteoritics and Planetary Science 44

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Revisiting the cal oxygen isotope anomaly2009

    • Author(s)
      M. Ozima, A. Yamada, O. Abe, S. Nanbu, Y. Kasai
    • Journal Title

      Meteoritics and Planetary Science 44

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

    • Author(s)
      H. Yang, K.-l. 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 Final 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 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Study of Photo-physical Properties of Bisindolylmaleimide 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 Final Research Report
    • Peer Reviewed
  • [Journal Article] Carbonyl sulfide isotopologues: Ultraviolet absorption cross sections and stratospheric photolysis2009

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

      J. Chem. Phys. 131

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

    • Author(s)
      T. Ishida, S. Nanbu, H. Nakamura
    • Journal Title

      J. Phys. Chem. A 113

      Pages: 4356-4366

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mass-independent oxygen isotope fractionation in earth wind : first principles calculation2009

    • Author(s)
      A.Yamada, S.Nanbu, Y.Kasai, M.Ozima
    • Journal Title

      Meteoritics and Planetary Science 44

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Revisiting the cal oxygen isotope anomaly2009

    • Author(s)
      M.Ozima, A.Yamada, O.Abe, S.Nanbu, Y.Kasai
    • Journal Title

      Meteoritics and Planetary Science 44

    • 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

      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(^1D)+HCl→OH+Cl(OCl+H)2009

    • Author(s)
      H.Yang, K.-I.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] 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 in press

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Isotopomer fractionation in the UV 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

      J. Phys. Chem. A in press

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

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

      J. Phys. Chem. A in press

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

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

      rganic Letters 10

      Pages: 5171-5174

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Mechanical Cakcukation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D) + HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces2008

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

      J. Phys. Chem. A 112

      Pages: 7947-7960

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Calculation of Ro-vibrational States: Methodology and DOCl Application Results2008

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

      J. Phys. Chem. A 112

      Pages: 4141-4147

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] 32S/33S/34S/36S Kinetic Isotopic Fractionation Effects in the reactions of OCS with OH Radical: A Theoretical Study2008

    • Author(s)
      Sebastian O. Danielache, Matthew S. Johnson, Shinkoh Nanbu, Mette M.-L. Grage, Chris McLinsen, Naohiro Yoshida
    • Journal Title

      Chem. Phys. Lett. 450

      Pages: 214-220

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Quantum dynamical study of O(1D) + HCl reaction employing three electronic state potential energy surfaces2008

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

      J. Chem. Phys. 128

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Collision Energy Dependence of the O(^1D)+HC1 ->OH+C1(^2P)Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces2008

    • Author(s)
      H. Kohguchi, T. Suzuki, S. Nanbu, T. Ishida, G. V. Mil'nikov, P. Oloyede, H. Nakamura
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 818-825

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Mechanical Cakcukation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for theO(^1D)+HCI Reaction on All Three Contributing Electronic State Potential Energy Surfaces2008

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

      J. Phys. Chem. A 112

      Pages: 7947-7960

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

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

      Organic Letters 10

      Pages: 5171-5174

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules2008

    • Author(s)
      Aihara, Kanno, and Ishida
    • Journal Title

      J.Phys.Chem.A 112

      Pages: 818-825

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Coexcistence of distorted and undistorted closed-ring forms of photochromic 1,2-bis(2,5-dimethyl-3-thienyl)perfluorocyclopentene in crystal observed by FT-Raman spectroscopy2008

    • Author(s)
      Saita, Kobatake, Fukaminato, Nanbu, Irie, and Sekiya
    • Journal Title

      Chem.Phys.Lett. 454

      Pages: 42-48

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase2007

    • Author(s)
      X. Zhang, Y. Komoto, K. Sakota, M. Nakagami, T. Shinmyozu, S. Nanbu, H. Nakano, H. Sekiya
    • Journal Title

      Chem. Phys. Lett. 443

      Pages: 194-198

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Bisindolylmaleimides with Large Stokes Shift and Long-Lasting Chemiluminescence Properties2007

    • Author(s)
      Manabu Nakazono, Shinkoh Nanbu, Akihiro Uesaki, Ryoichi Kuwano, Manabu Kashiwabara, Kiyoshi Zaitsu
    • Journal Title

      Organic Letters 9

      Pages: 3583-3586

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Bisindolylmaleimides with Large Stokes Shift and Lasting Chemiluminescence Properties2007

    • Author(s)
      Nakazono, Nanbu, Uesaki, Kuwano, Kashiwabara, Zaitsu
    • Journal Title

      Organic Letters 9

      Pages: 3583-3586

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase2007

    • Author(s)
      Zhang, Komoto, Sakota, Nakagami, Shinmyozu, Nanbu, Nakano, Sekiya
    • Journal Title

      Chem.Phys.Lett 443

      Pages: 194-198

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] The vibrational structure of the X^1A_1-A^1B_1 and A^1B_1-B^1A_1 band systems of GeH_2/GeD_2 based on global potential energy surfaces2007

    • Author(s)
      Tokue, Ebina, Kanai, Nanbu
    • Journal Title

      J.Chem.Phys. 126

      Pages: 44313-44310

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Polycyclic Aromatic Hydrocarbon Molecular Ions2007

    • Author(s)
      Ishida, Kanno, Aihara
    • Journal Title

      Polish J.Chem 81

      Pages: 699-710

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)2 Rule2007

    • Author(s)
      Ishida, Kanno, Aihara
    • Journal Title

      Bull.Chem.Soc.Jpn. 80

      Pages: 2145-2148

    • NAID

      10019795082

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity2007

    • Author(s)
      Aihara, Ishida, and Kanno
    • Journal Title

      Bull.Chem.Soc.Jpn 80

      Pages: 1518-1521

    • NAID

      10019848311

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Isotopomer fractionation in the UV photolysis of N2O: 3. 3D ab initio surfaces and anharmonic effects

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

      J. Phys. Chem. A (in press)

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Fluorescence and chemiluminescence properties of indolylmaleimides: experimental and theoretical studies

    • 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. (in press)

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Control of Chemical Dynamics by Lasers: Theoretical Considerations

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

      J. Phys. Chem. A (in press)

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [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
    • Place of Presentation
      産業総合技術研究所臨界副都心センター
    • Year and Date
      2010-03-05
    • Related Report
      2009 Annual 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)
      南部伸孝
    • Organizer
      69^<th> Okazaki Conference on "New frontier in quantum chemical dynamics"
    • Place of Presentation
      Okazaki
    • Year and Date
      2010-02-23
    • Related Report
      2009 Annual Research Report
  • [Presentation] Hydrogen encapsulation using non-adiabatic tunneling2010

    • Author(s)
      Shinkoh NANBU
    • Organizer
      69th Okazaki Conference on "New frontier in quantum chemical dynamics, "
    • Place of Presentation
      Okazaki
    • Related Report
      2009 Final Research Report
  • [Presentation] Dissociation dynamics after the SO2 (C^1B_2←X1A1) excitation studied by wave packet propagation2010

    • Author(s)
      Ikuo Tokue, Shinkoh NANBU
    • Organizer
      69th Okazaki Conference on "New frontier in quantum chemical dynamics, "
    • Place of Presentation
      Okazaki
    • Related Report
      2009 Final 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] 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, Kondorskiy Alexey, 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過程の研究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
    • Place of Presentation
      Blatislava, Slovak
    • Year and Date
      2009-09-10
    • Related Report
      2009 Annual 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)
    • 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(ICT)occur in bisindolylmaleimide derivatives?2009

    • Author(s)
      斉田謙一郎, 中園学, 南部伸孝, 財津潔, 関谷博
    • 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
    • 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)
      徳江郁雄, 南部伸孝
    • 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
    • Place of Presentation
      東京
    • Year and Date
      2009-05-28
    • Related Report
      2009 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] Ultraviolet Absorption Cross Sections of Isotopically Substituted Carbonyl Sulfide Species2008

    • Author(s)
      Shinkoh Nanbu, Sebastian O. Danielache, Matthew s. Johnson, Nahiro Yoshida
    • Organizer
      The 4th International Symposium on Isotopomers(ISI2008)
    • Place of Presentation
      日本科学未来館(お台場)東京
    • Year and Date
      2008-10-07
    • 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
      日本科学未来館(お台場)東京
    • Year and Date
      2008-10-06
    • 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2回分子科学討論会
    • Place of Presentation
      福岡国際会議場
    • Year and Date
      2008-09-27
    • 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
      福岡国際会議場
    • Year and Date
      2008-09-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes2008

    • Author(s)
      Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
    • Organizer
      Gordon Research Conference (Molecular & Ionic Clusters)
    • Place of Presentation
      Centre Paul Langevin, CAES du CNRS 73500 Aussois FRANCE
    • Year and Date
      2008-09-07
    • Related Report
      2009 Final Research Report 2008 Annual Research Report
  • [Presentation] A new proposal of hydrogen encapsulation with an aggressive use of non-adiabatic phenomena2008

    • Author(s)
      南部伸孝, Hong ZHANG, 石田俊正, sean C. Smith, 中村宏樹
    • Organizer
      1^<st> International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      日本科学未来館(お台場)東京
    • Year and Date
      2008-06-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] Ab initio non-adiabatic dynamics for a biomolecule2008

    • Author(s)
      石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
    • Organizer
      1^<st> International Conference of The Grand Challenge to Next-Generation Integrated Nanoscience
    • Place of Presentation
      日本科学未来館(お台場)東京
    • Year and Date
      2008-06-04
    • 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
      北海道大学
    • 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, WiIfredo C. Chung, 南部伸孝, 中村宏樹
    • Organizer
      第24回化学反応討論会
    • Place of Presentation
      北海道大学
    • 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
      北海道大学
    • Year and Date
      2008-06-03
    • 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
      北海道大学
    • 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
      北海道大学
    • 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, C203-010 : (非質量依存同位体効果)
    • Place of Presentation
      幕張メッセ国際会議場(千葉)
    • Year and Date
      2008-05-26
    • Related Report
      2008 Annual Research Report
  • [Presentation] (Kyushu Univ., Univ. of Copenhagen, Tokyo Inst. of Tech. ) "Ultraviolet Absorption Cross Sections of Isotopically Substituted Carbonyl Sulfide Species, "2008

    • Author(s)
      Shinkoh Nanbu, Sebastian O. Danielache, Matthew S. Johnson, Nahiro Yoshida
    • Organizer
      The 4th International Symposium on Isotopomers (ISI2008)
    • Place of Presentation
      日本科学未来館(お台場)東京.
    • Related Report
      2009 Final Research Report
  • [Presentation] (Univ. of Copenhagen, Tokyo Inst. of Tech., Kyushu Univ., Meteorological Service of Canada) "32S/33S/34S and 36S Kinetic Fractionation Effects in the Reaction of OCS with OH Radical, "2008

    • 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
      日本科学未来館(お台場)東京.
    • Related Report
      2009 Final 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, 中園 学, 財津 潔, 関谷 博
    • Organizer
      日本化学会春季年会
    • Place of Presentation
      立教大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] (IMS, Kyoto Univ., Kyushu Univ., IMS) "Dynamics and control of isomerization of cyclohexadiene to hexatriene, "2007

    • Author(s)
      Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
    • Organizer
      The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
    • Place of Presentation
      北京(中国)
    • Related Report
      2009 Final Research Report
  • [Presentation] 非断熱現象を利用した分子設計2007

    • Author(s)
      南部 伸孝, Hong ZHANG, 石田 俊正, 中村 宏樹
    • Organizer
      第23回化学反応討論会
    • Place of Presentation
      神戸大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] レチナールモデル系の非断熱遷移ab ihitio動力学計算2007

    • Author(s)
      石田 俊正, 南部 伸孝, 中村 宏樹
    • Organizer
      第23回化学反応討論会
    • Place of Presentation
      神戸大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] 波束伝播法による遷移金属(M=A1,Si)シアン化物の異性化反応のダイナミックス2007

    • Author(s)
      徳江 郁雄, 南部 伸孝
    • Organizer
      第23回化学反応討論会
    • Place of Presentation
      神戸大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] Bisindolylmaleimide誘導体の蛍光及び持続性化学発光2007

    • Author(s)
      中園 学, 南部 伸孝, 桑野 良一, 柏原 学, 財津 潔
    • Organizer
      第25回生物発光化学発光研究会
    • Place of Presentation
      北海道大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] Bisindolylmaleimide誘導体の蛍光,化学発光及びその分子科学計算2007

    • Author(s)
      中園 学, 南部 伸孝, 柏原 学, 桑野 良一, 財津 潔
    • Organizer
      第44回化学関連支部合同九州大会
    • Place of Presentation
      北九州国際会議場
    • Related Report
      2007 Annual Research Report
  • [Presentation] 生体分子モデル系の非断熱遷移ab initio動力学2007

    • Author(s)
      石田 俊正, 南部 伸孝, 中村 宏樹
    • Organizer
      分子科学討論会2007
    • Place of Presentation
      東北大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] Quantum Mechanical Investigations of Proton Transfer Dynamics in Green Fluorescent Protein(GFP)2007

    • Author(s)
      Hong ZHANG, 南部 伸孝, 石田 俊正, S. C. Smith, 中村 宏樹
    • Organizer
      分子科学討論会2007
    • Place of Presentation
      東北大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] 非断熱現象を利用した分子設計2007

    • Author(s)
      南部 伸孝, Hong ZHANG, 石田 俊正, S. C. Smith, 中村 宏樹
    • Organizer
      分子科学討論会2007
    • Place of Presentation
      東北大学
    • Related Report
      2007 Annual Research Report
  • [Presentation] Ab initio non-adiabatic dynamics of retinal:two step:relaxation on the ground state2007

    • Author(s)
      Toshimasa Ishida, Shinkoh Nanbu, Hiroki Nakamura
    • Organizer
      CBI学会2007年大会
    • Place of Presentation
      東広島
    • Related Report
      2007 Annual Research Report
  • [Presentation] タンパクモデル化合物7-アザインドールの二量体水素移動反応のダイナミックス2007

    • Author(s)
      佐藤 将鷹, 南部 伸孝, 徳江 郁雄
    • Organizer
      日本物理学会新潟支部例会
    • Place of Presentation
      新潟
    • Related Report
      2007 Annual Research Report
  • [Presentation] 非断熱現象を利用した水素吸蔵分子の設計2007

    • Author(s)
      元井 拡夢, 南部 伸孝, 徳江 郁雄
    • Organizer
      日本物理学会新潟支部例会
    • Place of Presentation
      新潟
    • Related Report
      2007 Annual Research Report
  • [Remarks]

    • URL

      http://librsh01.lib.sophia.ac.jp/Profiles/69/0006813/profile.html

    • Related Report
      2009 Final Research Report
  • [Remarks]

    • URL

      http://librsh01.lib.sophia.ac.jp/Profiles/69/0006813/profile.html

    • Related Report
      2009 Annual Research Report

URL: 

Published: 2007-04-01   Modified: 2016-04-21  

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