Computational Study of Structures and Electronic Properties of the Catapres on Nano Structure of Fullerene with Calculations method
In this report, using computational methods of quantum mechanical the study of structural, electronic and orbitals properties of Catapres on nanostructured fullerenes using software Gaussian 98 is done. At the first compounds were optimized, then NBO calculations have been done. The results ind...
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| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2016-09-01
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| Series: | International Journal of New Chemistry |
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| Online Access: | http://www.ijnc.ir/article_34984.html |