Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Journal of Physical Chemistry B

Volumn 120, Issue 30, 2016, Pages 7456-7470

  Ambrosio, Francesco ^a   Miceli, Giacomo ^a   Pasquarello, Alfredo ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION IN LIQUIDS; DIMERS; DISTRIBUTION FUNCTIONS; ENERGY GAP; HYDROGEN BONDS; LIQUIDS; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

AB INITIO MOLECULAR DYNAMICS; DISPERSION INTERACTION; EXPERIMENTAL VALUES; HYDROGEN BOND ENERGY; HYDROGEN BOND NETWORKS; RADIAL DISTRIBUTION FUNCTIONS; SELF-DIFFUSION COEFFICIENTS; VAN DER WAALS INTERACTION;

ELECTRONIC PROPERTIES;

EID: 84982812573     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.6b03876     Document Type: Article

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