HYDRATION FREE-ENERGY FOR LI+ AT INFINITE DILUTION WITH A 3-BODY ABINITIO POTENTIAL

被引:36
作者
CORONGIU, G
MIGLIORE, M
CLEMENTI, E
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D O I
10.1063/1.456603
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 ;
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页码:4629 / 4630
页数:2
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共 16 条
  • [1] FREE-ENERGY CALCULATIONS BY COMPUTER-SIMULATION
    BASH, PA
    SINGH, UC
    LANGRIDGE, R
    KOLLMAN, PA
    [J]. SCIENCE, 1987, 236 (4801) : 564 - 568
  • [2] CALCULATION OF FREE-ENERGY CHANGES IN ION WATER CLUSTERS USING NONADDITIVE POTENTIALS AND THE MONTE-CARLO METHOD
    CIEPLAK, P
    LYBRAND, TP
    KOLLMAN, PA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) : 6393 - 6403
  • [3] NONADDITIVITY OF INTERACTION IN WATER TRIMERS
    CLEMENTI, E
    KOLOS, W
    LIE, GC
    RANGHINO, G
    [J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1980, 17 (03) : 377 - 398
  • [4] NON-ADDITIVITY IN WATER-ION-WATER INTERACTIONS
    CLEMENTI, E
    KISTENMACHER, H
    KOLOS, W
    ROMANO, S
    [J]. THEORETICA CHIMICA ACTA, 1980, 55 (04): : 257 - 266
  • [5] CLEMENTI E, 1981, LECTURE NOTES CHEM, V19
  • [6] CLEMENTI E, 1976, LECTURE NOTES CHEM, V2
  • [7] CLEMENTI E, 1983, INT J QUANTUM CHEM S, V10, P31
  • [8] MONTE-CARLO LIQUID WATER SIMULATION WITH 4-BODY INTERACTIONS INCLUDED
    DETRICH, J
    CORONGIU, G
    CLEMENTI, E
    [J]. CHEMICAL PHYSICS LETTERS, 1984, 112 (05) : 426 - 430
  • [9] Friedman H. L., 1973, WATER COMPREHENSIVE, V3
  • [10] EXPERIMENTAL-DETERMINATION OF ABSOLUTE HALF-CELL EMFS AND SINGLE ION FREE-ENERGIES OF SOLVATION
    GOMER, R
    TRYSON, G
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (10) : 4413 - 4424