COMPUTER MODELING OF LANTHANIDE COMPLEXES WITH AMPICILLIN
نویسندگان
چکیده
Проведен расчет структуры комплексов ампициллина с катионами лантаноидов методом DFT, определены длины связей ионов донорными атомами лигандов, получены энергии комплексов. Установлено, что энергия комплексов, рассчитанная находится в монотонной зависимости от экспериментально определенных констант их образования. The structure of ampicillin complexes with lanthanide cations was calculated by the DFT method, bond lengths ions donor ligand atoms were determined, and complex energies obtained. It is established that energy method monotonically dependent on experimentally determined constants their formation.
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ژورنال
عنوان ژورنال: Vestnik Tverskogo gosudarstvennogo universiteta
سال: 2023
ISSN: ['1995-0152']
DOI: https://doi.org/10.26456/vtchem2022.4.8