Density functional calculations of surface free energies

Journal of Chemical Physics

Volumn 124, Issue 13, 2006, Pages

  Fox, H ^a   Horsfield, A P ^a   Gillan, M J ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SURFACE REACTIONS; TITANIUM DIOXIDE;

DENSITY FUNCTIONAL THEORY; FREE SURFACE ENERGY; LINEAR RELATION; THERMODYNAMIC INTEGRATION;

FREE ENERGY;

EID: 34547139130     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2184313     Document Type: Article

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