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Volumn 33, Issue 6, 2012, Pages 695-701

Dispersive interactions in water bilayers at metallic surfaces: A comparison of the PBE and RPBE functional including semiempirical dispersion corrections

(2) Tonigold, Katrin a Groß, Axel a

a UNIVERSITY OF ULM (Germany)

Author keywords

adsorption energy; density functional theory; dispersion energy; explicit water model; metal surface; noncovalent interactions

Indexed keywords

ADSORPTION ENERGIES; DENSITY FUNCTIONALS; DISPERSION ENERGY; EXPLICIT WATER; METAL SURFACE; NON-COVALENT INTERACTION;

ADSORPTION; CALCULATIONS; DENSITY FUNCTIONAL THEORY; METALLIC COMPOUNDS; METALS;

DISPERSIONS;

EID: 84856747105 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.22900 Document Type: Article

Times cited : (142)

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