Structural, Electronic and Topological Properties of Carboplatin Conjugate with Fullerenol

Structural, Electronic and Topological Properties of Carboplatin Conjugate with Fullerenol

The article presents the calculation of the structural and electronic characteristics of a conjugate consisting of the drug carboplatin (C6H12N2O4Pt) and a fullerenol (C60(OH)24) nanocarrier by the HF-3c method. Optimization of the geometric structure of the conjugate in an aqueous medium was carrie...

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Bibliographic Details
Main Authors: A. L. Pushkarchuk, T. V. Bezyazychnaya, V. I. Potkin, E. A. Dikusar, A. G. Soldatov, S. Ya. Kilin, A. P. Nizovtsev, S. A. Kutsen, D. V. Yermak, T. S. Pivovarchik, D. B. Migas, V. A. Kulchitsky
Format: Article
Language:Russian
Published: Educational institution «Belarusian State University of Informatics and Radioelectronics» 2025-02-01
Series:Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki
Subjects:
quantum chemistry
hf-3c method
quantum theory of atoms in molecules
orca software package
fullerenol
carboplatin
conjugate
drugs
targeted delivery
toxicology
Online Access:https://doklady.bsuir.by/jour/article/view/4055
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