Molecular dynamics simulation study of water surfaces: Comparison of flexible water models

Journal of Physical Chemistry B

Volumn 114, Issue 43, 2010, Pages 13786-13795

  Yuet, Pak K ^a   Blankschtein, Daniel ^b  

^a DALHOUSIE UNIVERSITY   (Canada)

^b Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; SURFACE PROPERTIES; SURFACE TENSION;

BOND-STRETCHING; CUTOFF DISTANCE; DENSITY VARIATIONS; DIVIDING SURFACES; DUAL LAYER STRUCTURE; ELECTROSTATIC INTERACTIONS; EXPERIMENTAL VALUES; FLEXIBLE WATER MODELS; INTERFACIAL REGION; INTERFACIAL STRUCTURES; KEY FACTORS; LENNARD JONES; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR PARAMETERS; PARTIAL CHARGE DISTRIBUTION; QUANTITATIVE PREDICTION; SIMPLE POINT CHARGE; SIMULATION PARAMETERS; SIMULATION STUDIES; SIMULATION TIME; SUM-FREQUENCY GENERATION SPECTROSCOPY; WATER MODELS; WATER MOLECULE; WATER SURFACE; WATER SURFACE TENSION;

COMPUTER SIMULATION;

EID: 78549264425     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1067022     Document Type: Article

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