Redox levels in aqueous solution: Effect of van der Waals interactions and hybrid functionals

Journal of Chemical Physics

Volumn 143, Issue 24, 2015, Pages

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

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CRYSTALLINE MATERIALS; DEFECTS; ELECTRONIC PROPERTIES; ENERGY GAP; MOLECULAR DYNAMICS; SOLUTIONS;

AB INITIO MOLECULAR DYNAMICS; PERDEW-BURKE-ERNZERHOF; STANDARD HYDROGEN ELECTRODES; STRUCTURAL MODIFICATIONS; THERMODYNAMIC INTEGRATION METHODS; TOTAL ENERGY DIFFERENCES; VAN DER WAALS INTERACTION; VAN DER WAALS INTERACTIONS;

VAN DER WAALS FORCES;

EID: 84954071592     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4938189     Document Type: Article

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