| Literature DB >> 16591890 |
K K Cheong1, A Oshita, D J Caldwell, H Eyring.
Abstract
The interaction of configurations, including all possible singly excited configurations, is incorporated into the calculation of oscillatory and rotatory intensities of simple nonplanar pi-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.Entities:
Year: 1970 PMID： 16591890 PMCID： PMC283419 DOI： 10.1073/pnas.67.4.1727
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN： 0027-8424 Impact factor: 11.205