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Time-Resolved Insight into the Photosensitized Generation of Singlet Oxygen in Endoperoxides

[Image: see text] A synergistic approach combining high-level multiconfigurational static calculations and full-dimensional ab initio surface hopping dynamics has been employed to gain insight into the photochemistry of endoperoxides. Electronic excitation of endoperoxides triggers two competing pat...

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Bibliografiska uppgifter
I publikationen:J Chem Theory Comput
Huvudupphovsmän: Martínez-Fernández, Lara, González-Vázquez, Jesús, González, Leticia, Corral, Inés
Materialtyp: Artigo
Språk:Inglês
Publicerad: American Chemical Society 2014
Länkar:https://ncbi.nlm.nih.gov/pmc/articles/PMC4325559/
https://ncbi.nlm.nih.gov/pubmed/25688180
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct500909a
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