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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Опубликовано в::	Proc Natl Acad Sci U S A
Главные авторы:	Cheong, Kam-Khow, Oshita, Allen, Caldwell, Dennis J., Eyring, Henry
Формат:	Artigo
Язык:	Inglês
Опубликовано:	National Academy of Sciences 1970
Предметы:	Physical Sciences: Chemistry
Online-ссылка:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC283419/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/16591890/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.67.4.1727
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