Computational studies of reactivity descriptors, electronic and nonlinear optical properties of multifunctionalized fullerene ylide with acetylsalicylic acid
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DOI: 10.1007/s00894-021-04785-2
Abstract: DFT calculations were performed to study the nanostructures obtained by the multifunctionalization of one and two acetylsalicylic acid radicals on fullerene ylide. The increase in the number of aspirin molecules functionalized on fullerene ylide increases… read more here.
Keywords: multifunctionalization; optical properties; acetylsalicylic acid; computational studies ... See more keywords