Отправить статью по E-mail Chemical Properties of Gold Clusters as Dependent on the Structure and Doping by 5d Elements
- Авторы: Yarzhemsky V.G.1, D’yakov Y.A.2, Izotov A.D.1, Izotova V.O.1
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Учреждения:
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Genomics Research Center, Academia Sinica
- Выпуск: Том 64, № 10 (2019)
- Страницы: 1242-1248
- Раздел: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/169516
- DOI: https://doi.org/10.1134/S0036023619100188
- ID: 169516
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Аннотация
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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Об авторах
V. Yarzhemsky
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Автор, ответственный за переписку.
Email: vgyar@igic.ras.ru
Россия, Moscow, 119991
Yu. D’yakov
Genomics Research Center, Academia Sinica
Email: vgyar@igic.ras.ru
Тайвань, Taipei, 115
A. Izotov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Россия, Moscow, 119991
V. Izotova
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
Россия, Moscow, 119991
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