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Configuration Interaction in the Calculation of Oscillatory and Rotatory Intensities of Nonplanar π-Electronic Systems

The interaction of configurations, including all possible singly excited configurations, is incorporated into the calculation of oscillatory and rotatory intensities of simple nonplanar π-electronic systems such as skewed butadiene and acrolein. The results are discussed in terms of the reliability...

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Detalhes bibliográficos
Main Authors: Cheong, Kam-Khow, Oshita, Allen, Caldwell, Dennis J., Eyring, Henry
Formato: Artigo
Idioma:Inglês
Publicado em: 1970
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC283419/
https://ncbi.nlm.nih.gov/pubmed/16591890
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