Molecular dynamics simulation of the dielectric constant of water: The effect of bond flexibility

Journal of Chemical Physics

Volumn 134, Issue 23, 2011, Pages

  Raabe, Gabriele ^a   Sadus, Richard J ^b  

^a TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

^b SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ANGLE; DIELECTRIC CONSTANTS; EXPERIMENTAL DATA; INTERMOLECULAR INTERACTIONS; INTERMOLECULAR POTENTIALS; LIQUID PHASE; LOCAL ENVIRONMENTS; MOLECULAR DIPOLE; MOLECULAR DYNAMICS SIMULATIONS; QUADRUPOLE MOMENTS; RIGID BONDS; SUPERCRITICAL PHASE; THERMODYNAMIC STATE;

MOLECULAR DYNAMICS;

WATER;

ARTICLE; CHEMISTRY; ELECTRIC CONDUCTIVITY; MOLECULAR DYNAMICS; PRESSURE; TEMPERATURE;

ELECTRIC CONDUCTIVITY; MOLECULAR DYNAMICS SIMULATION; PRESSURE; TEMPERATURE; WATER;

EID: 79959763014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3600337     Document Type: Article

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