INTER-MOLECULAR POTENTIALS AND SIMULATION OF LIQUID WATER

被引:34
作者
MCDONALD, IR [1 ]
KLEIN, ML [1 ]
机构
[1] NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA
关键词
D O I
10.1063/1.435642
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:4875 / 4877
页数:3
相关论文
共 19 条
[1]  
CLEMENTI E, 1976, LECTURE NOTES CHEM, V2
[2]   ANHARMONIC EFFECTS IN PHONON SPECTRA OF SODIUM-CHLORIDE [J].
COWLEY, ER ;
JACUCCI, G ;
KLEIN, ML ;
MCDONALD, IR .
PHYSICAL REVIEW B, 1976, 14 (04) :1758-1769
[3]   SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].
DIERCKSEN, GHF ;
KRAEMER, WP ;
ROOS, BO .
THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274
[4]   MONTE-CARLO SIMULATION OF WATER [J].
LADD, AJC .
MOLECULAR PHYSICS, 1977, 33 (04) :1039-1050
[5]   MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT [J].
LEVESQUE, D ;
PATEY, GN ;
WEIS, JJ .
MOLECULAR PHYSICS, 1977, 34 (04) :1077-1091
[6]   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
[7]   CALCULATION OF 2ND VIRIAL-COEFFICIENTS FOR WATER USING A RECENT AB-INITIO POTENTIAL [J].
LIE, GC ;
CLEMENTI, E .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5308-5309
[8]   CL STUDY OF WATER DIMER POTENTIAL SURFACE [J].
MATSUOKA, O ;
CLEMENTI, E ;
YOSHIMINE, M .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) :1351-1361
[9]   SIMULATION OF LIQUID-AMMONIA [J].
MCDONALD, IR ;
KLEIN, ML .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) :4790-4791
[10]  
NARTEN AH, 1971, J CHEM PHYS, V55, P2268