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Volumn 118, Issue 10, 1996, Pages 2473-2482
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Natural energy decomposition analysis: Explicit evaluation of electrostatic and polarization effects with application to aqueous clusters of alkali metal cations and neutrals
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Author keywords
[No Author keywords available]
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Indexed keywords
ALKALI METALS;
CALCULATIONS;
CHARGE TRANSFER;
ELECTROSTATICS;
IONS;
MOLECULAR DYNAMICS;
PHYSICAL CHEMISTRY;
AQUEOUS CLUSTERS;
DIPOLE MOMENTS;
HARTREE-FOCK METHOD;
INTERMOLECULAR INTERACTIONS;
NATURAL ENERGY DECOMPOSITION ANALYSIS;
NUMERICAL STABILITY;
POLARIZATION EFFECTS;
MOLECULES;
ALKALI METAL;
ARTICLE;
COMPUTER SIMULATION;
DECOMPOSITION;
ENERGY TRANSFER;
THERMODYNAMICS;
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EID: 0030111044
PISSN: 00027863
EISSN: None
Source Type: Journal
DOI: 10.1021/ja951834y Document Type: Article |
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Times cited : (206)
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References (44)
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