Будова та властивості вуглецевих нанокластерів гексагональної форми, які містять одну і дві моновакансії
The equilibrium spatial and electronic structures of carbon nanoclusters (CNC) derived from the hexagon-shaped nanocluster C96 due to removing one or two atoms have been calculated by density functional theory method (B3LYP, basis set 6-31 G**). For comparison, calculations have been ca...
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| Date: | 2013 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | Russian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2013
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/501 |
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| Journal Title: | Surface |
| Download file: |  |