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- W2009786584 abstract "Molecular dynamics calculations have been performed on thiophene polymers bearing heterocyclic substituents at the third position in order to study the interaction of analyte with these heterocyclic substituents. Analysis of parameters like total energy, density, radial distribution function, end-to-end distance in polymer chains and radius of gyration of polymer–analyte system shows the variation in these properties with respect to nature of analytes and side chain on the polymer. Overall, the study aims to bring out the role of side chain in designing chemical sensory material." @default.
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- W2009786584 date "2010-01-01" @default.
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- W2009786584 title "Molecular dynamics simulations on polythiophenes for chemical sensing applications" @default.
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- W2009786584 doi "https://doi.org/10.1080/08927020903115245" @default.
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