Theoretical studies on chemical reaction dynamics in solution 溶液化学反応の動力学に関する理論的研究

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著者

    • 奥野, 好成 オクノ, ヨシシゲ

書誌事項

タイトル

Theoretical studies on chemical reaction dynamics in solution

タイトル別名

溶液化学反応の動力学に関する理論的研究

著者名

奥野, 好成

著者別名

オクノ, ヨシシゲ

学位授与大学

京都大学

取得学位

博士 (工学)

学位授与番号

乙第8180号

学位授与年月日

1993-03-23

注記・抄録

博士論文

目次

  1. 論文目録 / (0001.jp2)
  2. Contents / p10 (0010.jp2)
  3. Preface / p1 (0005.jp2)
  4. Acknowledgement / p8 (0009.jp2)
  5. Contents / p10 (0010.jp2)
  6. Part I.The Chemical Reaction Molecular Dynamics Method and the Dynamic Transition State / (0011.jp2)
  7. Introduction / p3 (0012.jp2)
  8. Chapter1.The Chemical Reaction Molecular Dynamics Method and the Dynamic Transition State:Proton Transfer Reaction in the Formamidine and Water Solvent System / p7 (0014.jp2)
  9. Chapter2.Dynamic Transition State in the Constant Energy Scheme CRMD Simulation and the Relative Velocity Correlation Function / p47 (0034.jp2)
  10. Chapter3.A Heuristic Potential Function for Intramolecular and Intrasupermolecular Chemical Reactions / p61 (0041.jp2)
  11. Part II.Dynamic Solvent Effect in the Energy Transfer Mechanism / (0054.jp2)
  12. Introduction / p89 (0055.jp2)
  13. Chapter1.Ab initio Calculations and the Chemical Reaction Molecular Dynamics Simulation / p93 (0057.jp2)
  14. Chapter2.The Chemical Reaction Molecular Dynamics Simulation and Energy Transfer Mechanism in Proton Transfer Reaction of Formamidine in Aqueous Solution / p127 (0074.jp2)
  15. Part III.Equilibrium and Nonequilibrium Solvation Effect for Liquid Phase Chemical Reactions / (0092.jp2)
  16. Introduction / p165 (0093.jp2)
  17. Chapter1.Extended Transition-State Theory and Constant Energy Chemical Reaction Molecular Dynamics Method for Liquid-Phase Chemical Reactions / p169 (0095.jp2)
  18. Chapter2.Generalized Grote-Hynes Theory:Microscopic Description of Time-Dependent Friction Based on Extended Transition-State Theory / p217 (0119.jp2)
  19. General Conclusion / p267 (0144.jp2)
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各種コード

  • NII論文ID(NAID)
    500000094286
  • NII著者ID(NRID)
    • 8000000094512
  • DOI(NDL)
  • NDL書誌ID
    • 000000258600
  • データ提供元
    • NDL-OPAC
    • NDLデジタルコレクション
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