CO interaction with ZnO surfaces: An MNDO, AM1 and PM3 theoretical study with large cluster models

Journal of Molecular Structure: THEOCHEM

Volumn 363, Issue 2, 1996, Pages 249-256

  Martins, João B L ^a   Longo, Elson ^a   Andrés, Juan ^b   Taft, Carlton A ^c  

^a FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^b UNIVERSITAT JAUME I   (Spain)

^c CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

AM1; Carbon monoxide; Cluster model; MNDO; PM3; Zinc oxide surface

Indexed keywords

EID: 0007899109     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/0166-1280(95)04443-4     Document Type: Article

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