Simulation and calculation of 2, 4, 5, 2', 4', 5' -hexachlorobiphenyl passing from the central axis of single walled carbon nanotube
The 2, 4, 5, 2?, 4?, 5? -hexachlorobiphenyl (PCB-153) is a high resistant pollutant which cause adverse health effects in recent years. In this study, it is closed and passed into single walled carbon nanotube (8, 8) and is investigated using density functional theory calculations (B3LYP/6-31+G (d)...
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2017-05-01
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| Series: | Kuwait Journal of Science |
| Subjects: | |
| Online Access: | https://journalskuwait.org/kjs/index.php/KJS/article/view/1520 |
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