Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of Gallic acid imprinted polymers

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 116, Issue , 2013, Pages 562-573

  Pardeshi, Sushma ^a   Dhodapkar, Rita ^b   Kumar, Anupama ^a  

^a VISVESVARAYA NATIONAL INSTITUTE OF TECHNOLOGY   (India)

^b NATIONAL ENVIRONMENTAL ENGINEERING RESEARCH INSTITUTE   (India)

Author keywords

Density functional theory; FT IR spectra; Gallic acid; Molecularly imprinted polymers; Polarizable continuum model; Prepolymerization complex

Indexed keywords

ACRYLIC MONOMERS; ASCORBIC ACID; CARBOXYLIC ACIDS; CHEMICAL BONDS; CONTINUUM MECHANICS; FREE RADICALS; HYDROGEN BONDS; MONOMERS; POLYMERS; QUANTUM CHEMISTRY; VIBRATIONAL SPECTRA;

FT-IR SPECTRUM; GALLIC ACIDS; MOLECULARLY IMPRINTED POLYMER; POLARIZABLE CONTINUUM MODEL; PRE-POLYMERIZATION COMPLEX;

DENSITY FUNCTIONAL THEORY;

GALLIC ACID; MOLECULARLY IMPRINTED POLYMER; POLYMER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DENSITY FUNCTIONAL THEORY; FT-IR SPECTRA; HYDROGEN BOND; INFRARED SPECTROSCOPY; MOLECULAR IMPRINTING; POLARIZABLE CONTINUUM MODEL; POLYMERIZATION; PREPOLYMERIZATION COMPLEX; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY; FT-IR SPECTRA; GALLIC ACID; MOLECULARLY IMPRINTED POLYMERS; POLARIZABLE CONTINUUM MODEL; PREPOLYMERIZATION COMPLEX;

GALLIC ACID; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR IMPRINTING; POLYMERIZATION; POLYMERS; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED;

EID: 84884759162     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.07.067     Document Type: Article

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