Theoretical study of the gas-phase ethane C-H and C-C bonds activation by bare niobium cation

Theoretical Chemistry Accounts

Volumn 120, Issue 4-6, 2008, Pages 395-403

  Michelini, M C ^a   Rivalta, I ^a   Sicilia, E ^a  

^a UNIVERSITY OF CALABRIA   (Italy)

Author keywords

Alkane activation; DFT; PES; Spin crossing

Indexed keywords

EID: 45449119668     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0422-y     Document Type: Article

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