Issue 22, 1970

Molecular orbital calculations of lone pair interactions in hexahydropyrimidine

Abstract

Explicit inclusion of directional electron repulsion integrals within CNDO types of MO methods for atoms containing lone pairs allows effects due to these lone pairs to be calculated.

Article information

Article type
Paper

J. Chem. Soc. D, 1970, 1533-1534

Molecular orbital calculations of lone pair interactions in hexahydropyrimidine

F. P. Chen and R. G. Jesaitis, J. Chem. Soc. D, 1970, 1533 DOI: 10.1039/C29700001533

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