Conformational and vibrational analysis of 2-, 3- and 4-trifluoromethylbenzaldehyde by ab initio Hartree-Fock, density functional theory and Moller-Plesset pertubasyon theory calculations

Journal of Molecular Structure: THEOCHEM

Volumn 861, Issue 1-3, 2008, Pages 122-130

  Sert, Yusuf ^a   Ucun, Fatih ^b   Böyükata, Mustafa ^a  

^a BOZOK UNIVERSITY   (Turkey)

^b SULEYMAN DEMIREL UNIVERSITY   (Turkey)

Author keywords

Conformers; DFT; HF; IR spectra; MP2; Raman spectra; Trifluoromethylbenzaldehydes; Vibrations

Indexed keywords

EID: 45649085739     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.04.015     Document Type: Article

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