MOLECULAR-DYNAMICS STUDIES OF THE STRUCTURE OF WATER AT HIGH-TEMPERATURES AND DENSITY

被引:129
作者
IMPEY, RW
KLEIN, ML
MCDONALD, IR
机构
[1] NATL RES COUNCIL CANADA, DIV CHEM, OTTAWA K1A 0R6, ONTARIO, CANADA
[2] UNIV CAMBRIDGE, DEPT PHYS CHEM, CAMBRIDGE CB2 1EP, ENGLAND
关键词
D O I
10.1063/1.440823
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:647 / 652
页数:6
相关论文
共 22 条
[1]   Structure of water; A Monte Carlo calculation [J].
Barker, J. A. ;
Watts, R. O. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :144-145
[2]   COOPERATIVE EFFECTS IN SIMULATED WATER [J].
BARNES, P ;
FINNEY, JL ;
NICHOLAS, JD ;
QUINN, JE .
NATURE, 1979, 282 (5738) :459-464
[3]  
BARNES P, 1978, PROGR LIQUID PHYSICS
[4]  
GIBSON IP, 1978, FARADAY DISCUSS, V66, P82
[5]  
Hansen J. P., 1976, THEORY SIMPLE LIQUID
[6]   STRUCTURE AND DYNAMICS OF ASSOCIATED MOLECULAR-SYSTEMS .1. COMPUTER-SIMULATION OF LIQUID-HYDROGEN FLUORIDE [J].
KLEIN, ML ;
MCDONALD, IR .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) :298-308
[7]   STRUCTURE AND DYNAMICS OF ASSOCIATED MOLECULAR-SYSTEMS .2. ATOM-ATOM POTENTIALS AND THE PROPERTIES OF AMMONIA [J].
KLEIN, ML ;
MCDONALD, IR ;
RIGHINI, R .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (09) :3673-3682
[8]   STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .13. MONTE-CARLO SIMULATION OF LIQUID WATER WITH A CONFIGURATION INTERACTION PAIR POTENTIAL [J].
LIE, GC ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) :2314-2323
[9]   CL STUDY OF WATER DIMER POTENTIAL SURFACE [J].
MATSUOKA, O ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1351-1361
[10]   STRUCTURE AND DYNAMICS OF ASSOCIATED MOLECULAR-SYSTEMS .3. COMPUTER-SIMULATION OF LIQUID-HYDROGEN CHLORIDE [J].
MCDONALD, IR ;
OSHEA, SF ;
BOUNDS, DG ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (10) :5710-5717