Geometry and electronic structure of (SiO2)3 clusters
- Авторлар: Petrov A.1, Murin I.1, Ivanov-Schitz A.2
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Мекемелер:
- St. Petersburg State University
- Federal Research Center “Crystallography and Photonics,”
- Шығарылым: Том 87, № 7 (2017)
- Беттер: 1456-1460
- Бөлім: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/220618
- DOI: https://doi.org/10.1134/S1070363217070027
- ID: 220618
Дәйексөз келтіру
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.
Негізгі сөздер
Авторлар туралы
A. Petrov
St. Petersburg State University
Хат алмасуға жауапты Автор.
Email: a.petrov@spbu.ru
Ресей, Universitetskaya nab. 7–9, St. Petersburg, 199034
I. Murin
St. Petersburg State University
Email: a.petrov@spbu.ru
Ресей, Universitetskaya nab. 7–9, St. Petersburg, 199034
A. Ivanov-Schitz
Federal Research Center “Crystallography and Photonics,”
Email: a.petrov@spbu.ru
Ресей, Moscow
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