Properties of Hexagon-Shaped Carbon Nanoclusters
Equilibrium spatial structures of hexagon-shaped carbon nanoclusters (CNC) of С6–С216 size in the electronic ground-states were calculated by means of a density functional theory method (B3LYP, basis set 6-31 G**). Some relevant features were revealed: - С6 and С24 CNCs are ground-state singlets,...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry of NAS of Ukraine
2013-05-01
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| Series: | Хімія, фізика та технологія поверхні |
| Online Access: | https://cpts.com.ua/index.php/cpts/article/view/214 |
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