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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Bibliographic Information
- Title
-
Theoretical studies on chemical reaction dynamics in solution
- Other Title
-
溶液化学反応の動力学に関する理論的研究
- Author
-
奥野, 好成
- Author(Another name)
-
オクノ, ヨシシゲ
- University
-
京都大学
- Types of degree
-
博士 (工学)
- Grant ID
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乙第8180号
- Degree year
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1993-03-23
Note and Description
博士論文
Table of Contents
- 論文目録 / (0001.jp2)
- Contents / p10 (0010.jp2)
- Preface / p1 (0005.jp2)
- Acknowledgement / p8 (0009.jp2)
- Contents / p10 (0010.jp2)
- Part I.The Chemical Reaction Molecular Dynamics Method and the Dynamic Transition State / (0011.jp2)
- Introduction / p3 (0012.jp2)
- 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)
- Chapter2.Dynamic Transition State in the Constant Energy Scheme CRMD Simulation and the Relative Velocity Correlation Function / p47 (0034.jp2)
- Chapter3.A Heuristic Potential Function for Intramolecular and Intrasupermolecular Chemical Reactions / p61 (0041.jp2)
- Part II.Dynamic Solvent Effect in the Energy Transfer Mechanism / (0054.jp2)
- Introduction / p89 (0055.jp2)
- Chapter1.Ab initio Calculations and the Chemical Reaction Molecular Dynamics Simulation / p93 (0057.jp2)
- Chapter2.The Chemical Reaction Molecular Dynamics Simulation and Energy Transfer Mechanism in Proton Transfer Reaction of Formamidine in Aqueous Solution / p127 (0074.jp2)
- Part III.Equilibrium and Nonequilibrium Solvation Effect for Liquid Phase Chemical Reactions / (0092.jp2)
- Introduction / p165 (0093.jp2)
- Chapter1.Extended Transition-State Theory and Constant Energy Chemical Reaction Molecular Dynamics Method for Liquid-Phase Chemical Reactions / p169 (0095.jp2)
- Chapter2.Generalized Grote-Hynes Theory:Microscopic Description of Time-Dependent Friction Based on Extended Transition-State Theory / p217 (0119.jp2)
- General Conclusion / p267 (0144.jp2)
