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...

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Detalles Bibliográficos
Autores principales: Mukherjee, Soumya, Mukherjee, Bijit, Dutta, Joy, Sardar, Subhankar, Adhikari, Satrajit
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
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

Internet

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

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