Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes
There are four types of aromaticity criteria: energetic, electronic, magnetic and geometric. The delocalization, density and degeneracy based index of aromaticity, D3BIA, is an electronic aromaticity index from QTAIM that is not reference dependent and can be used for aromatic, homoaromatic, sigma a...
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| Principais autores: | , , |
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| 格式: | article |
| 语言: | English |
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Journal of Molecular Modeling
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| 在线阅读: | https://repositorio.ufrn.br/jspui/handle/123456789/29733 |
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