A theoretical study of ethylene dehydrogenation by bare Niobium atom and cation

Journal of Molecular Structure: THEOCHEM

Volumn 762, Issue 1-3, 2006, Pages 25-31

  Rivalta, Ivan ^a   Russo, Nino ^a   Sicilia, Emilia ^a  

^a Distribuite Centro d'Eccellenza MURST   (Italy)

Author keywords

DFT; Ethylene dehydrogenation; Spin crossing

Indexed keywords

EID: 33646809307     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.09.024     Document Type: Article

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