Theoretical vibrational spectra and analyses of isocyanatoketene O=C=CH-N=C=O

Journal of Molecular Structure: THEOCHEM

Volumn 676, Issue 1-3, 2004, Pages 35-40

  Badawi, Hassan M ^a   Al Saadi, Abdulaziz A ^a  

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

Author keywords

Isocyanatoketene; Normal coordinate analysis; Rotational barriers; Vibrational spectra and assignments

Indexed keywords

ISOCYANATE; ISOCYANATOKETENE; KETENE DERIVATIVE; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFORMATION; DENSITY FUNCTIONAL THEORY; INFRARED RADIATION; MOLECULE; PHASE TRANSITION; PREDICTION; RAMAN SPECTROMETRY; THEORY; VIBRATION;

EID: 1942500902     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.01.035     Document Type: Article

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