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Volumn 173, Issue , 2012, Pages 47-54
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Development of ions-TIP4P-Ew force fields for molecular processes in bulk and at the aqueous interface using molecular simulations
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Author keywords
Aqueous interface; Force fields development; Molecular dynamics
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Indexed keywords
ANGLE DISTRIBUTION;
AQUEOUS INTERFACES;
AQUEOUS IONIC SOLUTIONS;
DYNAMICAL PROPERTIES;
EXPERIMENTAL DATA;
FORCE FIELDS;
ION INTERACTIONS;
ION POTENTIAL MODELS;
MEAN RESIDENCE TIME;
MOLECULAR DYNAMICS CALCULATION;
MOLECULAR DYNAMICS SIMULATIONS;
MOLECULAR PROCESS;
MOLECULAR SIMULATIONS;
MONOVALENT IONS;
POTENTIAL PARAMETERS;
POTENTIALS OF MEAN FORCES;
RADIAL DISTRIBUTION FUNCTIONS;
VELOCITY AUTOCORRELATION FUNCTIONS;
ALKALI HALIDES;
BINDING ENERGY;
CESIUM;
CESIUM COMPOUNDS;
DIFFUSION;
MOLECULAR DYNAMICS;
IONS;
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EID: 84863107910
PISSN: 01677322
EISSN: None
Source Type: Journal
DOI: 10.1016/j.molliq.2012.05.023 Document Type: Article |
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Times cited : (21)
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References (50)
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