An ab initio investigation of five conformers of 3-butyn-1-ol and the structure of the most stable species from microwave spectroscopy

Journal of Molecular Structure

Volumn 693, Issue 1-3, 2004, Pages 167-174

  Slagle, Elizabeth D ^a   Peebles, Rebecca A ^a   Peebles, Sean A ^a  

^a EASTERN ILLINOIS UNIVERSITY   (United States)

Author keywords

3 Butyn 1 ol; Conformers; Microwave spectrum; Structure

Indexed keywords

3 BUTYN 1 OL; ALCOHOL DERIVATIVE; HYDROGEN; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ADDITION REACTION; ARTICLE; CHEMICAL STRUCTURE; DIPOLE; ENERGY; HYDROGEN BOND; MICROWAVE RADIATION;

EID: 1942486386     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2004.02.033     Document Type: Article

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