AN INTERACTION POTENTIAL FOR CL-/H2O OBTAINED FROM GRADIENT CALCULATIONS

被引：11

作者：

BOUNDS, DG

BOUNDS, PJ

机构：

[1] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND

[2] IBM CORP,DEPT D55 996,POUGHKEEPSIE,NY 12602

来源：

MOLECULAR PHYSICS | 1983年 / 50卷 / 05期

关键词：

D O I：

10.1080/00268978300102901

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

收藏

页码：1125 / 1132

页数：8

相关论文

共 9 条

[1] POTENTIAL SURFACES DERIVED FROM GRADIENT CALCULATIONS - NEW POTENTIALS FOR LI+/H2O, NA+/H2O AND K+/H2O
BOUNDS, DG
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[J]. MOLECULAR PHYSICS, 1983, 50 (01) : 25 - 32
[2] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION
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[3] DACRE PD, MOL PHYS
[4] DACRE PD, UNPUB J CHEM PHYS
[5] EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (01) : 111 - 116
[6] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULE
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) : 5842 - 5848
[7] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .2. ENERGY SURFACES FOR A WATER MOLECULE IN FIELD OF A SODIUM OR POTASSIUM CATION
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) : 1689 - 1699
[8] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .3. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A FLUORINE OR CHLORINE ANION
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) : 5627 - 5638
[9] [No title captured]