Theoretical Studies of some Nonbenzenoid Hydrocarbons. II
Canadian Journal of Chemistry1974Vol. 52(1), pp. 155–166
Citations Over TimeTop 10% of 1974 papers
Abstract
A semiempirical self-consistent field molecular orbital study has been made on some nonbenzenoid hydrocarbons using a resonance integral value proposed by Lo and Whitehead (2, 4), Chung and Dewar (3), Dewar and Harget (7), and Yamaguchi et al. (6) without using configuration interaction. It has been observed that spectral transitions calculated using the β-value proposed by Lo and Whitehead and Chung and Dewar are in good agreement with experiment and comparable to those calculated by the β-value proposed by Yamaguchi et al. and Dewar et al.
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