Theoretical investigation of the adsorption of methanol on the (110) surface of γ-alumina

Journal of Molecular Structure: THEOCHEM

Volumn 469, Issue 1-3, 1999, Pages 7-14

  De Vito, David A ^a   Gilardoni, François ^a   Kiwi Minsker, Lioubov ^b   Morgantini, Pierre Yves ^a   Porchet, Stéphane ^b   Renken, Albert ^b   Weber, Jacques ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

^b EPFL   (Switzerland)

Author keywords

Ab initio calculations; Chemisorption; Cluster calculations; Density functional theory; IR frequency shifts

Indexed keywords

ALUMINUM; ALUMINUM OXIDE; CATION; METHANOL;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL BOND; GAS; INFRARED SPECTROSCOPY; QUANTUM CHEMISTRY; THEORY;

EID: 0033198957     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00511-9     Document Type: Article

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