Theoretical study of molecular interactions of TNT, acrylic acid, and ethylene glycol dimethacrylate - Elements of molecularly imprinted polymer modeling process

Polymer

Volumn 52, Issue 4, 2011, Pages 1206-1216

  Saloni, Julia ^a   Lipkowski, Pawel ^b   Dasary, Samuel S R ^a   Anjaneyulu, Yerramilli ^a   Yu, Hongtao ^a   Hill Jr , Glake ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

MIP model; Molecularly imprinted polymers; Monomer selection

Indexed keywords

AROMATIC COMPOUNDS; BINDING ENERGY; CALCULATIONS; ETHYLENE; ETHYLENE GLYCOL; HYDROGEN; HYDROGEN BONDS; MONOMERS; POLYMERS;

ETHYLENE GLYCOL DIMETHACRYLATE; FREQUENCY CALCULATIONS; MIP MODELS; MOLECULAR IMPRINTED POLYMERS; MOLECULAR IMPRINTING; MOLECULARLY IMPRINTED POLYMER; MONOMER SELECTION; NITROAROMATIC COMPOUND;

DENSITY FUNCTIONAL THEORY;

EID: 79751537165     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2010.11.057     Document Type: Article

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