New implicit solvation scheme for solid surfaces

Journal of Physical Chemistry C

Volumn 116, Issue 42, 2012, Pages 22458-22462

  Faheem, Muhammad ^a   Suthirakun, Suwit ^a   Heyden, Andreas ^a  

^a The Department of Mechanical Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; BACK-DONATION; BONDING CHARACTERISTICS; CLEAVAGE REACTION; CLUSTER MODEL CALCULATION; COMPUTATIONAL APPROACH; EFFECT OF WATER; ELEMENTARY REACTION; FREQUENCY SHIFT; HETEROGENEOUS CATALYST; IN-VACUUM; PLANE WAVE DENSITY FUNCTIONAL THEORY; PT(111); SOLID SURFACE; SOLID-LIQUID INTERFACES; SOLVATION MODELS; TRANSITION METAL SURFACES;

ADSORPTION; PALLADIUM; PLATINUM; TRANSITION METALS;

SOLVATION;

EID: 84867876794     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp308212h     Document Type: Article

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