MONTE-CARLO STUDY OF FREE-ENERGY OF HYDRATION FOR LI+, NA+, K+, F-, AND CL-WITH ABINITIO POTENTIALS

被引：92

作者：

MIGLIORE, M ^{[1
]}

CORONGIU, G ^{[1
]}

CLEMENTI, E ^{[1
]}

LIE, GC ^{[1
]}

机构：

[1] IBM CORP,DEPT 48BMS428,KINGSTON,NY 12401

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 12期

关键词：

D O I：

10.1063/1.454289

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：

引用

页码：7766 / 7771

页数：6

共 23 条

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[8] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULE
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[9] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) : 7793 - 7794

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