Vibrational analysis of the spectra of 1,3,4-oxadiazole, 1,3,4-thiadiazole, 1,2,5-oxadiazole and 1,2,5-thiadiazole: Comparison between DFT, MP2 and HF force fields

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 52, Issue 1, 1996, Pages 33-44

  El Azhary, Adel A ^a  

^a CAIRO UNIVERSITY   (Egypt)

Author keywords

Density functional theory; DFT; Diazole; Vibrational analysis

Indexed keywords

EID: 0002324442     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/0584-8539(95)01535-3     Document Type: Article

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