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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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| Udgivet i: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2014
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| Online adgang: | 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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