σ-Electronic Structure in Conjugated Systems

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概要

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• The σ-electronic structures and σ-electron densities of σ skeletons in some conjugated compounds are calculated by a simple LCAOMO method developed by the present authors.<BR>The inductive and hyperconjugative effects, dipole moment, proton shift, and so on, are briefly discussed. Agreements of the results with experiments seem to be almost entirely satisfactory.<BR>A part of the calculation has been carried out with the KDC–I digital computer of Kyoto University.

• 社団法人 日本化学会の論文

著者

• Fukui Kenichi

  Faculty Of Engineering Kyoto University

• Yonezawa Teijiro

  Faculty Of Engineering Kyoto University

• Kato Hiroshi

  Faculty Of Engineering Tokyo Metropolitan University

• Morokuma Keiji

  Faculty of Engineering Kyoto University

• Imamura Akira

  Faculty of Engineering Kyoto University

• Nagata Chikayoshi

  Faculty of Engineering Kyoto University

• Fukui K.

  Faculty of Engineering Kyoto University

• Yonezawa Teijiro

  Faculty of Engineeering Kyoto University

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