A Simple Molecular Orbital Method for Discussing the Electronic Structures of Stereoisomers—The Theoretical Method and ESR Hyper fine Splittings of the Terephthalaldehyde Anion
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概要
- 論文の詳細を見る
A new simple molecular orbital method with parameters modified by electronic interactions was developed so as to discuss simply the difference in electron distributions between stereoisomers. An application was made to the proton hyperfine coupling constants of the cis- and trans-isomers of the terephthalaldehyde anion radical, and the assignment of the constants was proposed on the basis of molecular orbital calculations.
- 社団法人 日本化学会の論文
著者
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Yonezawa Teijiro
Faculty Of Engineering Kyoto University
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Morokuma K.
Faculty of Engineering Kyoto University
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Fukui Kenichi
Faculty of Engineeering Kyoto University
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