Theoretical analysis of vibrational spectra and scaling-factor of 2-aryl-1,3,4-oxadiazole derivatives

International Journal of Quantum Chemistry

Volumn 109, Issue 2, 2009, Pages 328-341

  Avci, Davut ^a   Atalay, Yusuf ^a  

^a SAKARYA UNIVERSITY   (Turkey)

Author keywords

2 aryl 1,3,4 oxadiazoles; DFT; HF; IR intensities; Scaling factor; Structure correlation analysis; Vibrational assignment

Indexed keywords

DENSITY FUNCTIONAL THEORY; DERIVATIVES; ELECTRIC NETWORK ANALYSIS; ELECTRONIC PROPERTIES; INFRARED SPECTROSCOPY; MATERIALS PROPERTIES; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

2-ARYL-1,3,4-OXADIAZOLES; DFT; HF; IR INTENSITIES; SCALING FACTOR; STRUCTURE- CORRELATION ANALYSIS; VIBRATIONAL ASSIGNMENT;

INTELLIGENT CONTROL;

EID: 58149217911     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21789     Document Type: Article

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