STUDY OF A CENTRAL FORCE MODEL FOR LIQUID WATER BY MOLECULAR-DYNAMICS

被引:229
作者
RAHMAN, A
STILLINGER, FH
LEMBERG, HL
机构
[1] ARGONNE NATL LAB,ARGONNE,IL 60439
[2] BELL TEL LABS,MURRAY HILL,NJ 07974
关键词
D O I
10.1063/1.431307
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:5223 / 5230
页数:8
相关论文
共 22 条
[1]   VELOCITY AUTOCORRELATIONS FOR HARD SPHERES [J].
ALDER, BJ ;
WAINWRIGHT, TE .
PHYSICAL REVIEW LETTERS, 1967, 18 (23) :988-+
[2]   SOLVATION AND HYDROPHOBIC INTERACTION OF NONPOLAR MOLECULES IN WATER IN APPROXIMATION OF INTERATOMIC POTENTIALS - MONTE-CARLO METHOD [J].
DASHEVSKY, VG ;
SARKISOV, GN .
MOLECULAR PHYSICS, 1974, 27 (05) :1271-1290
[3]   SELF-DIFFUSION IN LIQUID WATER TO -31 DEGREESC [J].
GILLEN, KT ;
DOUGLASS, DC ;
HOCH, JR .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (12) :5117-&
[4]   WATER MOLECULE INTERACTIONS [J].
HANKINS, D ;
MOSKOWITZ, JW ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (12) :4544-+
[5]  
HANKINS D, 1973, J CHEM PHYS, V59, P995, DOI 10.1063/1.1680140
[6]  
HUANG K, 1963, STATISTICAL MECHANIC, pCH16
[7]   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
[8]   APPLICATION OF MOLECULAR-DYNAMICS METHOD TO A LIQUID-SYSTEM WITH LONG-RANGE FORCES (MOLTEN NACL) [J].
LANTELME, F ;
TURQ, P ;
QUENTREC, B ;
LEWIS, JWE .
MOLECULAR PHYSICS, 1974, 28 (06) :1537-1549
[9]   CENTRAL-FORCE MODEL FOR LIQUID WATER [J].
LEMBERG, HL ;
STILLINGER, FH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (05) :1677-1690
[10]   WATER MOLECULE INTERACTIONS - STABILITY OF CYCLIC POLYMERS [J].
LENTZ, BR ;
SCHERAGA, HA .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (12) :5296-5308