Study of local hard-soft acid-base principle to multiple-site interactions

被引:52
|
作者
Chandrakumar, KRS [1 ]
Pal, S [1 ]
机构
[1] Natl Chem Lab, Div Phys Chem, Theoret Chem Grp, Pune 411008, Maharashtra, India
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2002年 / 106卷 / 23期
关键词
D O I
10.1021/jp014499a
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 multiplesite-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.
引用
收藏
页码:5737 / 5744
页数:8
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