1H-Phosphepine-benzene phosphine valence tautomerizations: Impacts of substituents at ab initio and DFT levels

Journal of Molecular Structure: THEOCHEM

Volumn 865, Issue 1-3, 2008, Pages 73-78

  Kassaee, M Z ^a   Cheshmehkani, A ^a   Musavi, S M ^a   Majdi, M ^a   Motamedi, E ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

1H Phosphepine; Ab initio; Benzene phosphine; DFT; NICS; Substituent effect; Valence tautomerization

Indexed keywords

EID: 50549103107     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.06.025     Document Type: Article

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