Relation between bond order and delocalization index of QTAIM
The formal bond order is half the difference between the number of bonding and anti-bonding electrons. The relation between delocalization index (DI) from QTAIM and formal bond order is linear for CC, NN, GeGe, C–Si, C–Ge and CN bonds. The electronegativity is closely related with the correspondence...
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| Principais autores: | , , |
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| Formato: | article |
| Idioma: | English |
| Publicado em: |
Elsevier
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| Endereço do item: | https://repositorio.ufrn.br/jspui/handle/123456789/29210 |
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