电邮这篇文章 Chemical Properties of Gold Clusters as Dependent on the Structure and Doping by 5d Elements
- 作者: Yarzhemsky V.G.1, D’yakov Y.A.2, Izotov A.D.1, Izotova V.O.1
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隶属关系:
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Genomics Research Center, Academia Sinica
- 期: 卷 64, 编号 10 (2019)
- 页面: 1242-1248
- 栏目: 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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详细
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.
作者简介
V. Yarzhemsky
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
编辑信件的主要联系方式.
Email: vgyar@igic.ras.ru
俄罗斯联邦, Moscow, 119991
Yu. D’yakov
Genomics Research Center, Academia Sinica
Email: vgyar@igic.ras.ru
台湾, Taipei, 115
A. Izotov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
俄罗斯联邦, Moscow, 119991
V. Izotova
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vgyar@igic.ras.ru
俄罗斯联邦, Moscow, 119991
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