An ab initio and DFT comparative study of electronic effects on spin multiplicities and structures of X-C2N carbenes

Journal of Molecular Structure: THEOCHEM

Volumn 728, Issue 1-3, 2005, Pages 15-24

  Kassaee, M Z ^a   Musavi, S M ^a   Buazar, F ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

3 X 2 aza 1 cyclopropenylidene; (X imino)methylene carbene; Ab initio; Carbene; Carbenonitrene; DFT; H C2N; H2N C 2N; MeO C2N; NC C2N; Nitrene; X cyanocarbene

Indexed keywords

EID: 23944511198     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.04.011     Document Type: Article

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