Copyright © 1992 Published by Elsevier Science Ltd. All rights reserved.
A newly proposed molecular topological index for the discrimination of cis/trans isomers and for the studies of QSAR/QSPR
Received 11 April 1991;
revised 23 March 1992.
Available online 20 December 2001.
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Abstract
A new topological index, the general aN-index (GAI), on quantum chemistry, is described in this paper. The GAI can be applied to molecules that contain heteroatoms and multiple bonds, and performs well in distinguishing cis/trans isomers. The relationships between the GAIs and physicochemical properties of olefins and neutral phosphorus compounds were observed with satisfactory results.







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