Властивості вуглецевих нанокластерів гексагональної форми
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, С54...
Saved in:
| Date: | 2013 |
|---|---|
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2013
|
| Online Access: | https://www.cpts.com.ua/index.php/cpts/article/view/214 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Chemistry, Physics and Technology of Surface |