Gaussian-Charge Polarizable and Nonpolarizable Models for CO2

Journal of Physical Chemistry B

Volumn 120, Issue 5, 2016, Pages 984-994

  Jiang, Hao ^a   Moultos, Othonas A ^b   Economou, Ioannis G ^b   Panagiotopoulos, Athanassios Z ^a  

^a Princeton University   (United States)

^b TEXAS A AND M UNIVERSITY AT QATAR   (Qatar)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION IN LIQUIDS; DISTRIBUTION FUNCTIONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PHASE EQUILIBRIA; POLARIZATION; TRANSPORT PROPERTIES;

GIBBS ENSEMBLE MONTE CARLO; INTERMOLECULAR POTENTIAL MODELS; MOLECULAR DYNAMICS SIMULATIONS; RADIAL DISTRIBUTION FUNCTIONS; SECOND VIRIAL COEFFICIENTS; SELF-DIFFUSION COEFFICIENTS; THERMODYNAMIC AND TRANSPORT PROPERTIES; VAPOR-LIQUID EQUILIBRIA DATUM;

CARBON DIOXIDE;

EID: 84958525787     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b11701     Document Type: Article

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