Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory

Journal of Molecular Structure: THEOCHEM

Volumn 548, Issue 1-3, 2001, Pages 39-46

  Bombasaro, J A ^a   Suvire, F D ^a   Chasse, G A ^a,b   Zamarbide, G N ^a   Estrada, M R ^a  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^b UNIVERSITY OF TORONTO   (Canada)

Author keywords

C2H5NO2; Conformations; Dynamic chiralits; Ethyl nitrite; HF and DFT geometry optimizations; Stereoelectronic effects; Vibrational spectra

Indexed keywords

ALKYL GROUP; ETHANE; NITRITE;

ARTICLE; CALCULATION; CHIRALITY; DYNAMICS; ELECTRICITY; ENERGY; STEREOCHEMISTRY; THEORY;

EID: 0035974260     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(01)00351-7     Document Type: Article

References (10)