STRUCTURES AND ENERGETICS OF MONO-VALENT ION WATER MICROCLUSTERS .2. THERMAL PHENOMENA

被引:48
作者
LIN, S
JORDAN, PC
机构
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D O I
10.1063/1.455282
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:7492 / 7501
页数:10
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共 27 条
[1]   HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS [J].
ARSHADI, M ;
YAMDAGNI, R ;
KEBARLE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1475-&
[2]   COOPERATIVE EFFECTS IN SIMULATED WATER [J].
BARNES, P ;
FINNEY, JL ;
NICHOLAS, JD ;
QUINN, JE .
NATURE, 1979, 282 (5738) :459-464
[3]   MOLECULAR-DYNAMICS WITH COUPLING TO AN EXTERNAL BATH [J].
BERENDSEN, HJC ;
POSTMA, JPM ;
VANGUNSTEREN, WF ;
DINOLA, A ;
HAAK, JR .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3684-3690
[4]   A theory of water and ionic solution, with particular reference to hydrogen and hydroxyl ions [J].
Bernal, JD ;
Fowler, RH .
JOURNAL OF CHEMICAL PHYSICS, 1933, 1 (08) :515-548
[5]   CALCULATION OF FREE-ENERGY CHANGES IN ION WATER CLUSTERS USING NONADDITIVE POTENTIALS AND THE MONTE-CARLO METHOD [J].
CIEPLAK, P ;
LYBRAND, TP ;
KOLLMAN, PA .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (11) :6393-6403
[6]   HYDRATION OF ALKALI IONS IN GAS PHASE - ENTHALPIES AND ENTROPIES OF REACTIONS M+(H2O)N-1+H2O = M+(H2O)N [J].
DZIDIC, I ;
KEBARLE, P .
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1466-&
[7]   SINGULARITY FREE ALGORITHM FOR MOLECULAR-DYNAMICS SIMULATION OF RIGID POLYATOMICS [J].
EVANS, DJ ;
MURAD, S .
MOLECULAR PHYSICS, 1977, 34 (02) :327-331
[8]   ABINITIO STUDY OF STRUCTURES AND BINDING-ENERGIES FOR ANION WATER COMPLEXES [J].
GAO, J ;
GARNER, DS ;
JORGENSEN, WL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (16) :4784-4790
[9]  
Gear CW., 1971, NUMERICAL INITIAL VA
[10]   2-BODY, 3-BODY, AND 4-BODY INTERACTIONS IN MODEL WATER INTERACTIONS [J].
GELLATLY, BJ ;
QUINN, JE ;
BARNES, P ;
FINNEY, JL .
MOLECULAR PHYSICS, 1983, 50 (05) :949-969