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
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
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京都大学
- 取得学位
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博士 (工学)
- 学位授与番号
-
乙第8180号
- 学位授与年月日
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1993-03-23
注記・抄録
博士論文
目次
- 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)
