An experimental and theoretical study of molecular structure and vibrational spectra of pentafluorophenylboronic acid molecule by density functional theory and ab initio Hartree Fock calculations

Journal of Molecular Structure

Volumn 874, Issue 1-3, 2008, Pages 159-169

  Kurt, Mustafa ^a  

^a AHI EVRAN UNIVERSITY   (Turkey)

Author keywords

Ab initio calculations; Density functional theory; IR and Raman spectra; Molecular structure; Pentafluorophenylboronic acid (=pfpba)

Indexed keywords

DENSITY FUNCTIONAL THEORY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; PARAMETER ESTIMATION; RAMAN SPECTROSCOPY; SPECTROSCOPIC ANALYSIS;

GEOMETRIC PARAMETERS; SOLID PHASES;

ORGANIC ACIDS;

EID: 38649114061     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2007.03.050     Document Type: Article

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