Theoretical studies of some nonbenzenoid hydrocarbons. V. Benzazulenes and benzofluoranthenes.
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概要
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The molecules benzazulenes and benzofluoranthenes have been studied by the semi-empirical method for π-molecular systems, similar to that of Pariser-Parr and Pople. Ground state properties and π<SUP>*</SUP>←π spectra have been predicted and compared with experiment. Agreement between the theoretical values and observed ones is good; that between the experimental value of half-wave reduction potential and values calculated by SCF(d) method is very good.
- 公益社団法人 日本化学会の論文
著者
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Chatterjee Subrata
Department Of Metallurgy And Materials Engineering Bengal Engineering And Science University
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Das Gupta
Department of Chemistry, Jadavpur University
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Das Gupta
Department of Chemistry, Visva-Bharati University
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Das Gupta
Department of Chemistry, University of Alberta
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Chatterjee Subrata
Department of Chemistry, Visva-Bharati University
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