Topological Effect on MO Energies. III
Open Access
- 1 August 1983
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 38 (8) , 916-927
- https://doi.org/10.1515/zna-1983-0817
Abstract
The approach of the S and T isomers is applied to eight pairs of topologically related hetero-cyclic molecules with non-isomorphic partial structures. The CNDO/2 calculations as well as the experimental data clearly support the TEMO predictions.Keywords
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