Investigating the Resonance Energy and Charge Transfer in the Clonidine and C60-Clonidine-Fullerene Carriers with Quantum Chemistry Calculations
Clonidine has two aromatic rings in which halogens are attached to one ring in this study, both in drug state and in fullerene nanostructure, and by changing the type of halogen at the * HF / 6-31G level and in The gas phase was first optimized and then the NBO calculations were performed. The resul...
| Published in: | International Journal of New Chemistry |
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| Main Author: | |
| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2016-06-01
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| Online Access: | http://www.ijnc.ir/article_34971.html |