Experimental, ab initio and density functional theory studies on sulfadiazine

Journal of Molecular Structure

Volumn 924-926, Issue C, 2009, Pages 514-522

  Ogruc Ildiz, Gulce ^a   Akyuz, Sevim ^a   Ozel, Aysen E ^b  

^a ISTANBUL KULTUR UNIVERSITY   (Turkey)

^b ISTANBUL UNIVERSITY   (Turkey)

Author keywords

Ab initio HF; Density functional theory; DFT; Infrared and Raman Spectroscopy; Sulfadiazine

Indexed keywords

COMPUTATION THEORY; DIHEDRAL ANGLE; GEOMETRY; GROUND STATE; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO; DENSITY FUNCTIONAL THEORY STUDIES; FUNDAMENTAL VIBRATIONS; INFRARED AND RAMAN SPECTRA; INFRARED AND RAMAN SPECTROSCOPY; SULFADIAZINE; TOTAL ENERGY DISTRIBUTIONS; VIBRATIONAL WAVENUMBERS;

DENSITY FUNCTIONAL THEORY;

EID: 65049083618     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.12.067     Document Type: Article

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