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Investigation of the interaction of thymine drugs with Be12O12 and Ca12O12 nanocages: A quantum chemical study

Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Sheena Mary, Asmita Mondal, Nivedita Acharjee, Deepthi S. Rajendran Nair

2023Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy16 citationsDOI

Topics & Concepts

ThymineNanocagesHOMO/LUMOChemistryMoleculeAdsorptionMolecular orbitalComputational chemistryPhotochemistryPhysical chemistryOrganic chemistryDNABiochemistryCatalysisBoron and Carbon Nanomaterials ResearchMuon and positron interactions and applicationsAdvanced Chemical Physics Studies
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