COORDINATION NUMBER FOR LI+-F-ION PAIR IN WATER

被引：58

作者：

FROMM, J

CLEMENTI, E

WATTS, RO

机构：

[1] IBM CORP,RES LAB,MONTEREY RD,SAN JOSE,CA 95193

[2] AUSTRALIAN NATL UNIV,COMP CTR,CANNBERRA,AUSTRALIA

[3] IBM CORP,RES LAB,COTTLE RD,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 04期

关键词：

D O I：

10.1063/1.430596

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：1388 / 1398

页数：11

共 18 条

[1] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].

CLEMENTI, E ;

POPKIE, H .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&

[2]

Eisenberg D., 1969, STRUCTURE PROPERTIES

[3] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .6. DIMERS AND SMALL CLUSTERS OF WATER MOLECULES IN HARTREE-FOCK APPROXIMATION [J].

KISTENMA.H ;

LIE, GC ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (02) :546-561

[4] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .5. HEAT OF FORMATION FOR LI+,NA+,K+,F-, AND CL- ION COMPLEXES WITH A SINGLE WATER MOLECULE [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (11) :5842-5848

[5] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .8. SMALL CLUSTERS OF WATER MOLECULES SURROUNDING LI+, NA+, K+, F-, AND CL- IONS [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :799-815

[6] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .7. EFFECT OF CORRELATION ENERGY CORRECTIONS TO HARTREE-FOCK WATER-WATER POTENTIAL ON MONTE-CARLO SIMULATIONS OF LIQUID WATER [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E ;

WATTS, RO .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (11) :4455-4465

[7] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .2. ENERGY SURFACES FOR A WATER MOLECULE IN FIELD OF A SODIUM OR POTASSIUM CATION [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

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 [J].

KISTENMACHER, H ;

POPKIE, H ;

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5627-5638

[9]

KOLOS W, PRIVATE COMMUNICATIO

[10]

KRESS JW, TO BE PUBLISHED

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