CNDO/2 Calculations of the Ionization Potentials and Electronic Spectra of Some Unsaturated Hydrocarbons
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概要
- 論文の詳細を見る
A modified CNDO/2 method in which local core matrix elements are taken to be empirical parameters is presented. Using this method, the ionization potentials and electronic spectra of some unsatutated hydrocarbons, ethylene, <I>trans</I>-, <I>cis</I>-1,3-butadienes, cyclobutene, cyclopentadiene, benzene and naphthalene, were calculated. The results are in general agreement with the previously available experimental information.
- 公益社団法人 日本化学会の論文
著者
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Hayashi Toshio
Department Of Bioldgy College Of General Education University Of Tokyo Komaba
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Nakajima Takeshi
Department of Chemistry Faculty of Science Tohoku University
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