Molecular density functional theory for water with liquid-gas coexistence and correct pressure

Journal of Chemical Physics

Volumn 142, Issue 15, 2015, Pages

  Jeanmairet, Guillaume ^a   Levesque, Maximilien ^a   Sergiievskyi, Volodymyr ^b   Borgis, Daniel ^a,c  

^a ECOLE NORMALE SUPÉRIEURE   (France)

^b DIF   (France)

^c LABORATOIRE DES SCIENCES DU CLIMAT ET DE L ENVIRONNEMENT   (France)

Author keywords

[No Author keywords available]

Indexed keywords

FREE ENERGY; HYDRATION; HYDROPHOBICITY; INTEGRAL EQUATIONS; LIQUEFIED GASES; LIQUIDS; PARAFFINS; SOLVATION;

ALL-ATOM SIMULATIONS; HYDRATION STRUCTURE; HYDROPHOBIC SOLUTES; HYDROPHOBIC SOLVATION; HYPERNETTED CHAIN APPROXIMATIONS; QUANTITATIVE AGREEMENT; SECOND ORDER DERIVATIVES; SOLVATION FREE ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 84928484956     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4917485     Document Type: Article

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