Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine

Journal of Molecular Structure

Volumn 791, Issue 1-3, 2006, Pages 70-76

  Wysokinski R ^a   Michalska, D ^a   Bienko D C ^a   Ilakiamani, S ^b   Sundaraganesan, N ^b   Ramalingam, K ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b ANNAMALAI UNIVERSITY   (India)

Author keywords

4 Thioamidopyridine; 4 Thiocarbamoylpyridine; Density functional theory; Hydrogen bonding; Infrared and Raman spectra; Raman intensities; Vibrational assignment

Indexed keywords

HYDROGEN BONDS; INFRARED SPECTROSCOPY; MONOMERS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING;

4-THIOAMIDOPYRIDINE; 4-THIOCARBAMOYLPYRIDINE; RAMAN INTENSITIES; VIBRATIONAL ASSIGNMENT;

DRUG PRODUCTS;

EID: 33746921685     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.12.044     Document Type: Article

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