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Information × Registration Number 2112U001698, Article popup.category Thesis Title popup.author popup.publication 01-01-2012 popup.source_user Сумський державний університет popup.source http://essuir.sumdu.edu.ua/handle/123456789/35463 popup.publisher Sumy State University Description The molecular electrostatic potential (MESP) distribution for 1-R-5-mercaptotetrazolium anions, as well as total energy of complexes of 1-R-5-mercaptotetrazoliums ions with silver and palladium particles has been calculated using DFT approach. Based on the results of quantum-chemical calculations, coordination mode of the ligands under their binding with surfaces of nanoparticles was proposed. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/35463 popup.nrat_date 2025-05-12 Close