Validation of computational approach to study monomer selectivity toward the template gallic acid for rational molecularly imprinted polymer design

Journal of Molecular Modeling

Volumn 18, Issue 11, 2012, Pages 4797-4810

  Pardeshi, Sushma ^a   Patrikar, Rajendra ^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; Gallic acid; Hydrogen bond; Molecularly imprinted polymer; Templatemonomer interactions

Indexed keywords

GALLIC ACID; METHACRYLIC ACID METHYL ESTER; MOLECULARLY IMPRINTED POLYMER; MONOMER;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; POLYMERIZATION; PRIORITY JOURNAL; ULTRAVIOLET SPECTROSCOPY;

EID: 84870503421     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1481-5     Document Type: Article

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