Use of propagators in the Hueckel model. VIII. Intermolecular interaction.
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概要
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Intermolecular interactions are analyzed by the propagator method, under the tight-binding approximation. The stabilization energy or the change of charge density due to the intermolecular interaction are expressed in terms of propagators, so that the mechanism resulting above effects is satisfactorily realized. As an interesting example, the intermolecular interaction between guanine and benzo[<I>a</I>]pyrene (a famous chemical carcinogen) is investigated.
- 公益社団法人 日本化学会の論文
著者
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Aono Shigeyuki
Department Of Chemistry College Of Arts And Sciences Chiba University
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Nishikawa Kiyoshi
Department Of Chemistry Faculty Of Science Kanazawa University
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Nishikawa Kiyoshi
Department of Chemistry, Faculty of Science, University of Kanazawa
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Kano Toshiharu
Department of Chemistry, Faculty of Science, University of Kanazawa
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