Елементарні акти реакції відновлення молекулярного кисню на допованому нітрогеном sp2-вуглецевому кластері: квантовохімічне дослідження
Density functional theory (B3LYP, 6-31 G**) was used to calculate the spatial and electronic structure of the oxygen molecule complexes with the coronene molecule and its nitrogen-containing analog, where two nitrogen atoms are in the para positions of the central hexagon. Within the framework of an...
Saved in:
| Date: | 2017 |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | Russian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2017
|
| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/631 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Journal Title: | Surface |
| Download file: |  |