Vibrational assignments and derived potential energy distributions for tri- and difluoromethyl ketene by density functional calculations

Journal of Molecular Modeling

Volumn 7, Issue 9, 2001, Pages 343-353

  Förner, Wolfgang ^a   Badawi, Hassan M ^a   Al Saadi, Abdulaziz A ^a   Ali, Sk Asrof ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

Difluoromethyl ketene; Rotational barriers; Trifluoromethyl ketene; Vibrational spectra and assignments

Indexed keywords

3,3 DIFLUOROMETHYLKETENE; 3,3,3 TRIFLUOROMETHYLKETENE; FLUORINE; HYDROGEN; KETENE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CIS ISOMER; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DENSITY; ELECTROCHEMISTRY; ENERGY; FREQUENCY ANALYSIS; INFRARED SPECTROSCOPY; MOLECULAR INTERACTION; MOLECULAR STABILITY; PREDICTION; PRIORITY JOURNAL; PROCESS OPTIMIZATION; VIBRATION;

EID: 0035789455     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/S008940100046     Document Type: Article

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