Studies on structures energetics of transition metal carbonyls by a density functional method

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著者

    • 和田, 隆夫 ワダ, タカオ

書誌事項

タイトル

Studies on structures energetics of transition metal carbonyls by a density functional method

著者名

和田, 隆夫

著者別名

ワダ, タカオ

学位授与大学

三重大学

取得学位

博士(工学)

学位授与番号

甲第665号

学位授与年月日

1998-12-16

注記・抄録

博士論文

目次

  1. Acknowlegment / p3 (0003.jp2)
  2. Contents / p5 (0004.jp2)
  3. 1 General Introduction / p1 (0007.jp2)
  4. 1.1 Transition-Metal Carbonyl Complexes / p1 (0007.jp2)
  5. 1.2 Laser-Ablation Molecular Beam Method / p5 (0009.jp2)
  6. 1.3 Density functional theory and the program deMon / p7 (0011.jp2)
  7. 1.4 The scope of this study / p10 (0013.jp2)
  8. 2 Formation of Mixed-Metal Binuclear Carbonyl Ions 〔MCr(CO)n〕⁺ in the Gas Phase by the Laser Ablation-Molecular Beam Method / p17 (0017.jp2)
  9. 2.1 Introduction / p17 (0017.jp2)
  10. 2.2 Experimental / p19 (0018.jp2)
  11. 2.3 Results and Discussion / p21 (0019.jp2)
  12. 2.4 Conclusions / p29 (0024.jp2)
  13. 3 Optimized Structures of [化学式] with Three Different Symmetries by Density Functional Calculation / p35 (0028.jp2)
  14. 3.1 Introduction / p35 (0028.jp2)
  15. 3.2 Calculation / p37 (0029.jp2)
  16. 3.3 Results and discussion / p42 (0033.jp2)
  17. 3.4 Conclusion / p51 (0038.jp2)
  18. 4 Optimized Structures and Energetics of Mixed-metal Binuclear Carbonyl Ions [化学式](M=Ti-Fe, n=4-6). A Density Functional Calculation I. Energetics / p55 (0041.jp2)
  19. 4.1 INTRODUCTION / p55 (0041.jp2)
  20. 4.2 METHOD AND MODELS / p57 (0042.jp2)
  21. 4.3 RESULTS AND DISCUSSION / p59 (0043.jp2)
  22. 4.4 CONCLUSIONS / p78 (0055.jp2)
  23. 5 Optimized Structures and Energetics of Mixed-metal Binuclear Carbonyl Ions [化学式](M=Ti-Fe, n=4-6). A Density Functional Calculation II. Structures and Bonding / p85 (0059.jp2)
  24. 5.1 INTRODUCTION / p85 (0059.jp2)
  25. 5.2 RESULTS AND DISCUSSION / p87 (0061.jp2)
  26. 5.3 CONCLUSIONS / p109 (0074.jp2)
  27. 6 Genenral Conclusion / p115 (0078.jp2)
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各種コード

  • NII論文ID(NAID)
    500000172048
  • NII著者ID(NRID)
    • 8000000172323
  • DOI(NDL)
  • NDL書誌ID
    • 000000336362
  • データ提供元
    • NDL ONLINE
    • NDLデジタルコレクション
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