DFT versus Møller-Plesset conformational profile and vibrational assignments of non-planar phenoxyacetic acid and 2,3,4,5,6- pentafluorophenoxyacetic acid

Journal of Molecular Structure

Volumn 977, Issue 1-3, 2010, Pages 67-71

  Badawi, Hassan M ^a  

^a KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS   (Saudi Arabia)

Author keywords

2,3,4,5,6 Pentafluorophenoxyacetic acid; Phenoxyacetic acid; Structural stability; Vibrational spectra and assignments

Indexed keywords

AB INITIO MP2; BASIS SETS; DFT-B3LYP; HIGH ENERGY STRUCTURES; MP2 LEVELS; PHENOXYACETIC ACID; RAMAN DATA; ROOM TEMPERATURE; SPECTRAL INTENSITY; STRUCTURAL STABILITIES; VIBRATIONAL ASSIGNMENT; VIBRATIONAL SPECTRA AND ASSIGNMENTS; VIBRATIONAL WAVENUMBERS;

CONFORMATIONS; STABILITY; VIBRATIONAL SPECTRA;

ACIDS;

EID: 77955575156     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2010.05.012     Document Type: Article

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