Особливості розподілу електростатичного потенціалу в одно- та в двостінних вуглецевих нанотрубок типу (6,0), (15,0) та (6,0)@(15,0)
In this paper the wave functions of carbon nanotubes of type (6,0), (15,0) and (6,0) @ (15,0) were calculated with quantum-chemical semiempirical method PM3 and nonempirical method using the basis set 3-21 G. It is shown that the ground state of these carbon systems is a triplet state. The maps of m...
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| Date: | 2014 |
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| Main Author: | |
| Format: | Article |
| Language: | Ukrainian |
| Published: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2014
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| Online Access: | https://surfacezbir.com.ua/index.php/surface/article/view/536 |
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| Journal Title: | Surface |
| Download file: |  |