Simulating CH4 physisorption on ionic crystals : Limitations of an atomic partial charge model

European Physical Journal D

Volumn 46, Issue 1, 2008, Pages 69-76

  Stimac, P J ^a,b   Hinde, R J ^a  

^a UNIVERSITY OF TENNESSEE   (United States)

^b UNIVERSITY OF MONTANA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CRYSTALS; ELECTROSTATIC SEPARATORS; ELECTROSTATICS; MAGNESIA; OXIDE MINERALS; POLARIZATION; QUANTUM CHEMISTRY;

ATOMIC PARTIAL CHARGES; ELECTRIC MULTIPOLES; ELECTROSTATIC COMPONENTS; POINT CHARGE MODELS; POLARIZATION COMPONENTS; QUANTUM-CHEMICAL TECHNIQUES; SUBSTRATE INTERACTION; SURFACE ELECTROSTATICS;

MOLECULES;

EID: 37749018761     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2007-00285-3     Document Type: Article

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