Potential scans and potential energy distributions of normal vibrational modes of trichloroacetyl isocyanate

Journal of Molecular Modeling

Volumn 8, Issue 2, 2002, Pages 44-49

  Badawi, Hassan M ^a   Förner, Wolfgang ^a   Abu Sharkh, Basel F ^a   Oloriegbe, Yahya S ^a  

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

Author keywords

Conformational stability; Internal rotation; Normal coordinate; Vibrational assignments

Indexed keywords

CHLORINE; ISOCYANATE; ISOCYANIC ACID DERIVATIVE; METHYL GROUP; NITROGEN; TRICHLOROACETYL ISOCYANIC ACID; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; COMPUTER PROGRAM; CONFORMATION; CONTROLLED STUDY; DENSITY; INFRARED RADIATION; MATHEMATICAL COMPUTING; MOLECULAR STABILITY; MOLECULE; PRIORITY JOURNAL; RADIATION ENERGY; RAMAN SPECTROMETRY; ROTATION; STEREOSPECIFICITY; STRUCTURE ANALYSIS; THEORETICAL STUDY; VIBRATION;

ISOCYANATES; MOLECULAR STRUCTURE; ROTATION; SPECTROPHOTOMETRY, INFRARED; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 0347998292     PISSN: 16102940     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00894-001-0066-5     Document Type: Article

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