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Theoretical studies of a singlet oxygen-releasing dioxapaddlane (1,4-diicosa naphthalene-1,4-endoperoxide)
Theoretical calculations have been used to examine singlet oxygen release from a naphthalene endoperoxide which bears a flexible (CH(2))(22) polymethylene “lid”. Monte Carlo and ONIOM calculations that incorporated semi-empirical and density functional theory predicted the conformational influence o...
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2009
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3413292/ https://ncbi.nlm.nih.gov/pubmed/22879733 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11224-009-9424-1 |
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