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Topological Effects in Vibronically Coupled Degenerate Electronic States: A Case Study on Nitrate and Benzene Radical Cation
[Image: see text] We carry out detailed investigation for topological effects of two molecular systems, NO(3) radical and C(6)H(6)(+) (Bz(+)) radical cation, where the dressed adiabatic, dressed diabatic, and adiabatic-via-dressed diabatic potential energy curves (PECs) are generated employing ab in...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644592/ https://www.ncbi.nlm.nih.gov/pubmed/31457977 http://dx.doi.org/10.1021/acsomega.8b01648 |