Some aspects of solvation

被引：0
|
作者：
Percus, JK [1 ]
机构：
[1] NYU, Courant Inst, New York, NY 10012 USA
来源：
SIMULATION AND THEORY OF ELECTROSTATIC INTERACTIONS IN SOLUTION: COMPUTATIONAL CHEMISTRY, BIOPHYSICS, AND AQUEOUS SOLUTIONS | 1999年 / 492卷
关键词：
non-uniform fluid; integral equation; mean spherical model; hydrodynamical model; normal mode analysis;
D O I：
10.1063/1.1301527
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
Some traditional approximation techniques are reviewed, concerning the effect of inserting a localized particle in an initially uniform fluid. They are put in a dynamical context, valid for both classical and quantum systems. The above picture, aimed at simple fluids, is generalized to include internal degrees of freedom. Both density profile and solvation free energy are treated in this fashion, in which a suitably defined frequency spectrum for the solvent plays a principal role.
引用
收藏
页码：161 / 171
页数：11
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