Enviar artigo por via de e-mail Chemical Properties of Gold Clusters as Dependent on the Structure and Doping by 5d Elements
- Autores: Yarzhemsky V.G.1, D’yakov Y.A.2, Izotov A.D.1, Izotova V.O.1
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Afiliações:
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Genomics Research Center, Academia Sinica
- Edição: Volume 64, Nº 10 (2019)
- Páginas: 1242-1248
- Seção: Theoretical Inorganic Chemistry
- URL: https://bakhtiniada.ru/0036-0236/article/view/169516
- DOI: https://doi.org/10.1134/S0036023619100188
- ID: 169516
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Resumo
The interaction of a terminal thiol group with gold clusters and Au12M intermetallic clusters has been studied by quantum-chemical methods. The energy of addition of the SH group has been found to have the least value for the most stable of the known clusters, which do not change their structure upon addition of the SH group. The highest energy of addition of the terminal thiol group is accompanied with structural modifications of the initial cluster.
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Sobre autores
V. Yarzhemsky
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Autor responsável pela correspondência
Email: vgyar@igic.ras.ru
Rússia, Moscow, 119991
Yu. D’yakov
Genomics Research Center, Academia Sinica
Email: vgyar@igic.ras.ru
República da China, Taipei, 115
A. Izotov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Rússia, Moscow, 119991
V. Izotova
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Rússia, Moscow, 119991
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