Interaction of methane with a [Li]0 center on MgO(100): HF, post-HF, and DFT cluster model studies

Journal of Physical Chemistry B

Volumn 101, Issue 48, 1997, Pages 10028-10034

  Ackermann, L ^a   Gale, J D ^b   Catlow, C R A ^a  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CATALYST ACTIVITY; COMPUTATIONAL METHODS; CRYSTAL LATTICES; HYDROGEN BONDS; LITHIUM; METHANE; OXIDATION; RELAXATION PROCESSES;

DENSITY FUNCTIONAL THEORY; HARTREE FOCK THEORY;

MAGNESIA;

EID: 0031273112     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972198o     Document Type: Article

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