Quantum-Chemical Calculation of <sup>29</sup>Si NMR Spectrum of Silicon Dioxide Fullerene-Like Molecules
29Si NMR spectra of fullerene-like hollow oligomers of silicic acid were calculated by the density functional theory method using hybrid exchange-correlation functional B3LYP, 6-311+G(2d, p) basis set and GIAO procedure. It is shown that fullerene-like molecule (SiO2)20(H2O)10 gives an intensive sig...
Сохранить в:
| Главные авторы: | , , , |
|---|---|
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2015-05-01
|
| Серии: | Хімія, фізика та технологія поверхні |
| Предметы: | |
| Online-ссылка: | https://cpts.com.ua/index.php/cpts/article/view/334 |
| Метки: |
Нет меток, Требуется 1-ая метка записи!
|