Potential functions of N-C and C-S internal rotations and normal coordinate analyses of carbamothioic acid H2N-CO-SCl

Journal of Molecular Structure: THEOCHEM

Volumn 715, Issue 1-3, 2005, Pages 33-38

  Badawi, Hassan M ^a  

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

Author keywords

Asymmetric OCSCl barrier; Carbamothioic acid; Two fold NH2 barrier; Vibrational spectra and analyses

Indexed keywords

CARBON; SULFUR; THIOCARBAMIC ACID;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; PREDICTION; STRUCTURE ANALYSIS;

EID: 13944261669     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.10.042     Document Type: Article

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