Geometry and electronic structure of (SiO2)3 clusters
- Авторы: Petrov A.1, Murin I.1, Ivanov-Schitz A.2
-
Учреждения:
- St. Petersburg State University
- Federal Research Center “Crystallography and Photonics,”
- Выпуск: Том 87, № 7 (2017)
- Страницы: 1456-1460
- Раздел: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/220618
- DOI: https://doi.org/10.1134/S1070363217070027
- ID: 220618
Цитировать
Аннотация
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.
Ключевые слова
Об авторах
A. Petrov
St. Petersburg State University
Автор, ответственный за переписку.
Email: a.petrov@spbu.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
Россия, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. Ivanov-Schitz
Federal Research Center “Crystallography and Photonics,”
Email: a.petrov@spbu.ru
Россия, Moscow
![](/img/style/loading.gif)