Study of Local Hard−Soft Acid−Base Principle to Multiple-Site Interactions

In this paper, we have presented a detailed study of a local hard−soft acid−base (HSAB) principle for describing multiple-site interactions between the molecular systems. The local HSAB principle, which has been recently used to study single-site based interactions, can be generalized for the descri...

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Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2002-06, Vol.106 (23), p.5737-5744
Main Authors: Chandrakumar, K. R. S, Pal, Sourav
Format: Article
Language:English
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Summary:In this paper, we have presented a detailed study of a local hard−soft acid−base (HSAB) principle for describing multiple-site interactions between the molecular systems. The local HSAB principle, which has been recently used to study single-site based interactions, can be generalized for the description of multiple-site-based interactions by different ways. We have elaborated these approaches and showed the validity of these models by making a detailed study on model prototype interactions that are relevant to biological molecular interaction processes. We discuss the nature of these approaches and the domain of their applicability.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp014499a