A COMPUTER-SIMULATION METHOD FOR THE CALCULATION OF EQUILIBRIUM-CONSTANTS FOR THE FORMATION OF PHYSICAL CLUSTERS OF MOLECULES - APPLICATION TO SMALL WATER CLUSTERS

被引:3302
作者
SWOPE, WC [1 ]
ANDERSEN, HC [1 ]
BERENS, PH [1 ]
WILSON, KR [1 ]
机构
[1] UNIV CALIF SAN DIEGO,DEPT CHEM,LA JOLLA,CA 92093
关键词
D O I
10.1063/1.442716
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:637 / 649
页数:13
相关论文
共 41 条
[1]   MONTE-CARLO SIMULATION OF PHYSICAL CLUSTERS OF WATER MOLECULES [J].
ABRAHAM, FF .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :1221-1225
[2]   MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].
ANDERSEN, HC .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393
[3]  
ANDREA T, UNPUB
[4]  
[Anonymous], 1974, HOMOGENEOUS NUCL THE
[5]  
BRIANT CL, 1976, J ATMOS SCI, V33, P1357, DOI 10.1175/1520-0469(1976)033<1357:AMMFTN>2.0.CO
[6]  
2
[7]   EFFECTIVE POTENTIAL FOR WATER-ION INTERACTIONS IN PRENUCLEATION EMBRYOS [J].
BRIANT, CL ;
BURTON, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2849-2855
[8]   MOLECULAR-DYNAMICS STUDY OF WATER MICROCLUSTERS [J].
BRIANT, CL ;
BURTON, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08) :3327-3333
[9]   MOLECULAR-DYNAMICS STUDY OF EFFECTS OF IONS ON WATER MICROCLUSTERS [J].
BRIANT, CL ;
BURTON, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (07) :2888-2895
[10]   MELTING OF A SMALL CLUSTER OF ATOMS [J].
BRIANT, CL ;
BURTON, JJ .
NATURE-PHYSICAL SCIENCE, 1973, 243 (128) :100-102