A MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE OF AN LICL.4H2O SOLUTION

被引：97
作者：
BOPP, P
OKADA, I
OHTAKI, H
HEINZINGER, K
机构：
[1] MAX PLANCK INST CHEM,OTTO HAHN INST,SAARSTR 23,POB 3060,D-6500 MAINZ,FED REP GER
[2] TH DARMSTADT,INST PHYS CHEM,D-6100 DARMSTADT,FED REP GER
[3] TOKYO INST TECHNOL NAGATSUTA,DEPT ELECTR CHEM,YOKOHAMA 227,JAPAN
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1985年 / 40卷 / 02期
关键词：
D O I：
10.1515/zna-1985-0203
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：116 / 125
页数：10
相关论文
共 34 条
[1]   AN IMPROVED POTENTIAL FOR NON-RIGID WATER-MOLECULES IN THE LIQUID-PHASE [J].
BOPP, P ;
JANCSO, G ;
HEINZINGER, K .
CHEMICAL PHYSICS LETTERS, 1983, 98 (02) :129-133
[2]   MOLECULAR-DYNAMICS STUDY OF AQUEOUS-SOLUTIONS .10. 1ST RESULTS FOR A NACL SOLUTION WITH A CENTRAL FORCE MODEL FOR WATER [J].
BOPP, P ;
DIETZ, W ;
HEINZINGER, K .
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1979, 34 (12) :1424-1435
[3]   POTENTIAL SURFACES DERIVED FROM GRADIENT CALCULATIONS - NEW POTENTIALS FOR LI+/H2O, NA+/H2O AND K+/H2O [J].
BOUNDS, DG ;
BOUNDS, PJ .
MOLECULAR PHYSICS, 1983, 50 (01) :25-32
[4]   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-&
[5]   CHLORIDE-IONS IN AQUEOUS-SOLUTIONS [J].
CUMMINGS, S ;
ENDERBY, JE ;
NEILSON, GW ;
NEWSOME, JR ;
HOWE, RA ;
HOWELLS, WS ;
SOPER, AK .
NATURE, 1980, 287 (5784) :714-716
[6]  
DIETZ W, 1982, Z NATURFORSCH A, V37, P1038
[7]   STRUCTURAL-PROPERTIES OF IONIC LIQUIDS [J].
ENDERBY, JE ;
NEILSON, GW .
ADVANCES IN PHYSICS, 1980, 29 (02) :323-365
[8]  
HEINZINGER K, 1978, ACS SYM SER, V86, P1
[9]   INDIRECT AND DIRECT CORRELATIONS BETWEEN UNLIKE IONS IN INCOMPLETELY HYDRATED SOLUTION [J].
ICHIKAWA, K ;
KAMEDA, Y ;
MATSUMOTO, T ;
MISAWA, M .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1984, 17 (28) :L725-L729
[10]   THE EFFECT OF PRESSURE ON THE HYDRATION SHELL OF IONS [J].
JANCSO, G ;
HEINZINGER, K ;
RADNAI, T .
CHEMICAL PHYSICS LETTERS, 1984, 110 (02) :196-200
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