Geometry and electronic structure of (SiO2)3 clusters
- 作者: Petrov A.1, Murin I.1, Ivanov-Schitz A.2
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隶属关系:
- St. Petersburg State University
- Federal Research Center “Crystallography and Photonics,”
- 期: 卷 87, 编号 7 (2017)
- 页面: 1456-1460
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/220618
- DOI: https://doi.org/10.1134/S1070363217070027
- ID: 220618
如何引用文章
详细
Electronic structure of (SiO2)3 clusters was calculated by the density functional method. Charge states were determined using various functionals, bond lengths and total energies of clusters were estimated.
作者简介
A. Petrov
St. Petersburg State University
编辑信件的主要联系方式.
Email: a.petrov@spbu.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. Ivanov-Schitz
Federal Research Center “Crystallography and Photonics,”
Email: a.petrov@spbu.ru
俄罗斯联邦, Moscow
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