Electronic effects on 1H-azepines valance tautomerization: An ab initio comparative study

Journal of Molecular Structure: THEOCHEM

Volumn 731, Issue 1-3, 2005, Pages 29-37

  Kassaee, M Z ^a   Arshadi, S ^a   Haerizade, B N ^a   Vessally, E ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

1H azepine; Ab initio; Benzene imine; Electronic effects; HF and DFT methods; Valence tautomerizations

Indexed keywords

EID: 26044455637     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.02.087     Document Type: Article

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