Ab initio and NBO analysis of the conformational properties of 1,2-oxathiane mono-S-oxide, 1,2-dithiane mono-S-oxide and 1,2-thiaselenane mono-S-oxide

Journal of Molecular Structure: THEOCHEM

Volumn 947, Issue 1-3, 2010, Pages 52-57

  Zeinalinezhad, Alireza ^a   Nori Shargh, Davood ^b,c   Abbasi Bakhtiari, Zohreh ^d   Boggs, James E ^c  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^d Science Faculty   (Iran)

Author keywords

1,2 Oxathiane mono S oxide; Ab initio; Anomeric effects; Molecular modeling; NBO

Indexed keywords

EID: 77949338621     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2010.01.040     Document Type: Article

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