Theoretical study of intramolecular electron transfer reactions in polar solvents 極性溶媒中の分子内電子移動反応に関する理論的研究
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著者
書誌事項
- タイトル
-
Theoretical study of intramolecular electron transfer reactions in polar solvents
- タイトル別名
-
極性溶媒中の分子内電子移動反応に関する理論的研究
- 著者名
-
林, 重彦
- 著者別名
-
ハヤシ, シゲヒコ
- 学位授与大学
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京都大学
- 取得学位
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博士 (理学)
- 学位授与番号
-
甲第7017号
- 学位授与年月日
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1997-11-25
注記・抄録
博士論文
目次
- 論文目録 / (0001.jp2)
- 目次 / p2 (0005.jp2)
- 1 General Introduction / p5 (0008.jp2)
- 1.1 Rate Theory / p7 (0010.jp2)
- 1.2 Inclusion of Intramolecular Vibration / p17 (0020.jp2)
- 2 Reaction Dynamics of Charge-Transfer State Formation of 4-(N,N-Dimethylamino)benzonitrile in a Methanol Solution:Theoretical Analyses / p23 (0026.jp2)
- 2.1 Introduction / p23 (0026.jp2)
- 2.2 Molecular Dynamics Calculations / p26 (0029.jp2)
- 2.3 Reaction Dynamics / p31 (0034.jp2)
- 2.4 Conclusion / p43 (0046.jp2)
- 3 Theoretical Study of Intramolecular Long-Range Electron Transfer Reactions between Porphyrin and Benzoquinon:ab initio Calculations of Electronic Coupling Element / p77 (0080.jp2)
- 3.1 Introduction / p77 (0080.jp2)
- 3.2 Molecular Systems / p80 (0083.jp2)
- 3.3 Theoretical Methods / p82 (0085.jp2)
- 3.4 Results and Discussion / p91 (0094.jp2)
- 3.5 Conclusion / p97 (0100.jp2)
- 4 Solvent Effect on Intramolecular Long-Range Electron Transfer Reactions between Porphyrin and Benzoquinon in Acetonitrile Solution: Molecular Dynamics Calculations of Reaction Rate Constant / p123 (0126.jp2)
- 4.1 Introduction / p123 (0126.jp2)
- 4.2 Molecular System / p126 (0129.jp2)
- 4.3 Theory / p128 (0131.jp2)
- 4.4 Molecular Dynamics Calculation / p137 (0140.jp2)
- 4.5 Reaction Rate / p142 (0145.jp2)
- 4.6 Concluding Remarks / p148 (0151.jp2)
- 5 Conclusion / p172 (0175.jp2)
- Electronic structures of poly-cations and -anions of C₆₀. Possible mechanisms of organic ferromagnetism / p372 (0283.jp2)