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Volumn 116, Issue 12, 2002, Pages 5115-5124
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Development of transferable interaction models for water. IV. A flexible, all-atom polarizable potential (TTM2-F) based on geometry dependent charges derived from an ab initio monomer dipole moment surface
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Author keywords
[No Author keywords available]
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Indexed keywords
APPROXIMATION THEORY;
BINDING ENERGY;
CHARGE TRANSFER;
COMPUTER SIMULATION;
DIMERS;
EIGENVALUES AND EIGENFUNCTIONS;
EQUATIONS OF MOTION;
GROUND STATE;
HYDROGEN BONDS;
MATHEMATICAL MODELS;
MOLECULAR DYNAMICS;
MOLECULAR VIBRATIONS;
POTENTIAL ENERGY;
TENSORS;
VECTORS;
DIPOLE MOMENT SURFACES (DMS);
MONOMERS;
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EID: 0037155398
PISSN: 00219606
EISSN: None
Source Type: Journal
DOI: 10.1063/1.1447904 Document Type: Article |
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Times cited : (250)
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References (36)
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