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MS-CASPT2 Studies on the Photophysics of Selenium-Substituted Guanine Nucleobase

[Image: see text] The MS-CASPT2 method has been employed to optimize minimum-energy structures of 6-selenoguanine (6SeGua) and related two- and three-state intersection structures in and between the lowest five electronic states, i.e., S(2)((1)ππ*), S(1)((1)nπ*), T(2)((3)nπ*), T(1)((3)ππ*), and S(0)...

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Bibliografiske detaljer
Udgivet i:ACS Omega
Main Authors: Fang, Ye-Guang, Peng, Qin, Fang, Qiu, Fang, Weihai, Cui, Ganglong
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2019
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6649137/
https://ncbi.nlm.nih.gov/pubmed/31460068
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b01276
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