DFT, FT-Raman and FT-IR investigations of 5-methoxysalicylic acid

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 82, Issue 1, 2011, Pages 504-512

  Güneş, Esma ^a   Parlak, Cemal ^a  

^a DUMLUPINAR UNIVERSITY   (Turkey)

Author keywords

5 Methoxysalicylic acid; DFT; PED; Vibrational spectra

Indexed keywords

MOLECULAR ORBITALS; ORGANIC SOLVENTS; THERMODYNAMICS; VIBRATIONAL SPECTRA;

B3LYP METHOD; BASIS SETS; CONFORMATIONAL EQUILIBRIUM; DFT; FT-IR INVESTIGATION; FT-RAMAN; FTIR AND FT-RAMAN SPECTRA; GASPHASE; GEOMETRIC PARAMETER; HYBRID DENSITY FUNCTIONAL THEORY; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NORMAL-MODE FREQUENCIES; PED; POTENTIAL ENERGY DISTRIBUTION; RAMAN INTENSITIES; SOLVENT EFFECTS; STRUCTURAL PARAMETER; VIBRATIONAL ASSIGNMENT;

DENSITY FUNCTIONAL THEORY;

EID: 84962381203     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.07.089     Document Type: Article

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