The adsorption of thiophene on a partially hydrogenated MoS2 cluster. A ZINDO-MRCI study

Journal of Molecular Structure: THEOCHEM

Volumn 465, Issue 2-3, 1999, Pages 111-118

  Jubert, A H ^a   Pis Diez, R ^a   Estiú, Guillermina L ^a   Ruette, F ^b  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^b Ctro de Quimica Apdo 21827 1020 A   (Venezuela)

Author keywords

Binding energy (BE); Configuration interaction (CI); Intermediate Neglect of Differential Overlap (ZINDO)

Indexed keywords

THIOPHENE;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL INTERACTION; GEOMETRY; HYDROGENATION;

EID: 0033535874     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00323-6     Document Type: Article

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