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. 1970 Dec;67(4):1727–1733. doi: 10.1073/pnas.67.4.1727

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

Kam-Khow Cheong 1, Allen Oshita 1, Dennis J Caldwell 1, Henry Eyring 1
PMCID: PMC283419  PMID: 16591890

Abstract

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 of the (self-consistent field)-(linear combination of atomic orbitals)-(molecular orbital) wave functions employed.

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Selected References

These references are in PubMed. This may not be the complete list of references from this article.

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