Spectroscopic analysis of C80 doping with group III and group V elements using semiempirical PM3 molecular modelling technique
Semiempirical calculations at the level of PM3 of theory were carried out to study the structural and electronic properties of C80 and some of its doped derivatives with the elements of group III and V at the level of PM3 of theory. We have selected these elements to be substituted in the fullerene-...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Estadual Paulista
2018-04-01
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| Series: | Eclética Química |
| Online Access: | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/288 |