Structures and electronic properties of endohedral metallofullerenes : a theoretical study 金属内包フラーレンの構造と電子的特性の理論研究
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著者
書誌事項
- タイトル
-
Structures and electronic properties of endohedral metallofullerenes : a theoretical study
- タイトル別名
-
金属内包フラーレンの構造と電子的特性の理論研究
- 著者名
-
小林, 郁
- 著者別名
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コバヤシ, カオル
- 学位授与大学
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東京都立大学
- 取得学位
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博士 (理学)
- 学位授与番号
-
乙第939号
- 学位授与年月日
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1997-02-21
注記・抄録
博士論文
目次
- Contents / p1 (0004.jp2)
- General introduction / p1 (0007.jp2)
- Part I. Electronic structures of monometallofullerenes / (0012.jp2)
- Chapter1. Electronic structures and properties of M@C₈₂(M=Sc,Y,and La) / p6 (0013.jp2)
- 1.1. Introduction / p6 (0013.jp2)
- 1.2. Computational details / p7 (0014.jp2)
- 1.3. Results and discussion / p8 (0015.jp2)
- 1.4. Summary / p24 (0031.jp2)
- References / p24 (0031.jp2)
- Chapter2. Electronic structures and properties of the lanthanide fullerenes M@C₈₂(M=Ce, Eu,Gd,and Lu) / p31 (0038.jp2)
- 2.1. Introduction / p31 (0038.jp2)
- 2.2. Computational details / p32 (0039.jp2)
- 2.3. Results and discussion / p33 (0040.jp2)
- 2.4. Summary / p43 (0050.jp2)
- References / p43 (0050.jp2)
- Part II. Structures and properties of dimetallofullerenes / (0053.jp2)
- Chapter3. Structures and electronic states of Sc₂@C₈₄ / p46 (0054.jp2)
- 3.1. Introduction / p46 (0054.jp2)
- 3.2. Computational details / p47 (0055.jp2)
- 3.3. Results and discussion / p48 (0056.jp2)
- 3.4. Summary / p62 (0070.jp2)
- References / p63 (0071.jp2)
- Chapter4. Structures and electronic properties of M₂@C₈₀(M=Sc,Y,La,Ce,Pr,Eu,Gd,Yb,and Lu) / p66 (0074.jp2)
- 4.1. Introduction / p66 (0074.jp2)
- 4.2. Computational details / p67 (0075.jp2)
- 4.3. Results and discussion / p68 (0076.jp2)
- 4.4. Summary / p86 (0094.jp2)
- References / p87 (0095.jp2)
- Chapter5. Structures and electronic states of M₂@C₇₄(M=Sc and La) / p91 (0099.jp2)
- 5.1. Introduction / p91 (0099.jp2)
- 5.2. Computational details / p92 (0100.jp2)
- 5.3. Results and discussion / p92 (0100.jp2)
- 5.4. Summary / p98 (0106.jp2)
- References / p99 (0107.jp2)
- Part III. Prediction for structures of calcium-fullerenes / (0109.jp2)
- Chapter6. Structures and electronic properties of Ca@C₈₂ / p101 (0110.jp2)
- 6.1. Introduction / p101 (0110.jp2)
- 6.2. Computational details / p102 (0111.jp2)
- 6.3. Results and discussion / p102 (0111.jp2)
- 6.4. Summary / p109 (0118.jp2)
- References / p109 (0118.jp2)
- Conclusion / p111 (0120.jp2)
- Acknowledgement / p113 (0122.jp2)