Restricted rotation in five-membered cyclic nitrosamine compounds: DFT investigation of structural, energetic and kinetics properties

Journal of Molecular Structure: THEOCHEM

Volumn 543, Issue 1-3, 2001, Pages 299-308

  Roohi, H ^a   Deyhimi, F ^a,b   Ebrahimi, A ^a  

^a UNIVERSITY OF SISTAN AND BALUCHESTAN   (Iran)

^b SHAHID BEHESHTI UNIVERSITY   (Iran)

Author keywords

Cyclic nitrosamine; Density functional theory method; Kinetics parameters; Restricted rotation; Rotational energy barrier

Indexed keywords

NITROSAMINE;

ARTICLE; CHEMICAL STRUCTURE; CYCLIZATION; ENERGY; ENERGY TRANSFER; HYDROGEN BOND; ISOMERISM; KINETICS; MOLECULAR STABILITY;

EID: 0035933332     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00366-9     Document Type: Article

References (16)