How steric effects favor thiepins over their benzene sulfide tautomers at theoretical levels?

Journal of Molecular Structure: THEOCHEM

Volumn 861, Issue 1-3, 2008, Pages 117-121

  Kassaee, M Z ^a   Musavi, S M ^b   Momeni, M R ^a   Shakib, F A ^a   Ghambarian, M ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

^b UNIVERSITY OF TABRIZ   (Iran)

Author keywords

Ab initio; Benzene sulfide; DFT; NICS; Steric effects; Tautomerization; Thiepin

Indexed keywords

EID: 45449098423     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.04.031     Document Type: Article

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