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
    COWLEY, ER
    JACUCCI, G
    KLEIN, ML
    MCDONALD, IR
    [J]. 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
    DIERCKSEN, GHF
    KRAEMER, WP
    ROOS, BO
    [J]. THEORETICA CHIMICA ACTA, 1975, 36 (04): : 249 - 274
  • [4] MONTE-CARLO SIMULATION OF WATER
    LADD, AJC
    [J]. MOLECULAR PHYSICS, 1977, 33 (04) : 1039 - 1050
  • [5] MONTE-CARLO STUDY OF DIPOLAR HARD SPHERES - PAIR DISTRIBUTION FUNCTION AND DIELECTRIC-CONSTANT
    LEVESQUE, D
    PATEY, GN
    WEIS, JJ
    [J]. 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
    LIE, GC
    CLEMENTI, E
    YOSHIMINE, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (06) : 2314 - 2323
  • [7] CALCULATION OF 2ND VIRIAL-COEFFICIENTS FOR WATER USING A RECENT AB-INITIO POTENTIAL
    LIE, GC
    CLEMENTI, E
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) : 5308 - 5309
  • [8] CL STUDY OF WATER DIMER POTENTIAL SURFACE
    MATSUOKA, O
    CLEMENTI, E
    YOSHIMINE, M
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) : 1351 - 1361
  • [9] SIMULATION OF LIQUID-AMMONIA
    MCDONALD, IR
    KLEIN, ML
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) : 4790 - 4791
  • [10] NARTEN AH, 1971, J CHEM PHYS, V55, P2268