Title of article
Some remarks on multi-center bond index
Author/Authors
Sannigrahi، نويسنده , , A.B. and Kar، نويسنده , , Tapas، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
9
From page
518
To page
526
Abstract
The basic mathematical structure and the inherent limitations of the bond index model are critically examined. It is then compared with a similar model where the bonding indices are defined in terms of multi-center effective pair populations derived from pair densities. The two models, although they differ in the basic approach, are shown to be equivalent for bond indices of even rank deduced from an RHF wavefunction.
Journal title
Chemical Physics Letters
Serial Year
1999
Journal title
Chemical Physics Letters
Record number
1776473
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