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...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2015-05-01
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| Series: | Хімія, фізика та технологія поверхні |
| Subjects: | |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/334 |
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