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Volumn 183-184, Issue , 2001, Pages 121-132
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The hydration number of Na+ in liquid water
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Author keywords
Ab initio molecular dynamics; Dielectric continuum; Electronic structure; Hydration; Information theory; Quasi chemical theory; Sodium ion
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Indexed keywords
APPROXIMATION THEORY;
BOUNDARY CONDITIONS;
COMPUTER SIMULATION;
CONTINUUM MECHANICS;
DENSITY OF LIQUIDS;
ELECTRONIC STRUCTURE;
FREE ENERGY;
HYDRATION;
MATHEMATICAL MODELS;
PERMITTIVITY;
POSITIVE IONS;
SODIUM;
SOLUTIONS;
VAN DER WAALS FORCES;
WATER;
DIELECTRIC CONTINUUM MODEL;
MOLECULAR DYNAMICS;
ION;
SODIUM ION;
WATER;
HYDRATE;
SODIUM;
WATER;
AQUEOUS SOLUTION;
ARTICLE;
CALCULATION;
COMPARATIVE STUDY;
DENSITY;
DIELECTRIC CONSTANT;
DIFFUSION COEFFICIENT;
ENERGY;
ENTROPY;
HYDRATION;
LIQUID;
MOLECULAR DYNAMICS;
SIMULATION;
TEMPERATURE;
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EID: 0035392380
PISSN: 03783812
EISSN: None
Source Type: Journal
DOI: 10.1016/S0378-3812(01)00426-5 Document Type: Article |
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Times cited : (150)
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References (36)
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