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
CLEMENTI, E
POPKIE, H
[J]. 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
KISTENMA.H
LIE, GC
POPKIE, H
CLEMENTI, E
[J]. 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
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. 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
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
[J]. 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
KISTENMACHER, H
POPKIE, H
CLEMENTI, E
WATTS, RO
[J]. 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
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] KOLOS W, PRIVATE COMMUNICATIO
[10] KRESS JW, TO BE PUBLISHED

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