MetadatenAuthor: | Danhua DaiORCiDGND, Xianwei WangORCiD, Yiwei LiuORCiD, Xiao-Liang Yang, Clemens GlaubitzORCiDGND, Vasyl Denysenkov, Xiao HeORCiD, Thomas PrisnerORCiD, Jiafei MaoORCiD |
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URN: | urn:nbn:de:hebis:30:3-697899 |
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DOI: | https://doi.org/10.1038/s41467-021-27067-0 |
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ISSN: | 2041-1723 |
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Parent Title (English): | Nature Communications |
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Publisher: | Nature Publishing Group UK |
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Place of publication: | [London] |
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Document Type: | Article |
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Language: | English |
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Date of Publication (online): | 2021/11/25 |
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Date of first Publication: | 2021/11/25 |
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Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
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Release Date: | 2024/03/12 |
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Tag: | Analytical chemistry; Biophysical chemistry; Theoretical chemistry |
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Volume: | 12 |
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Issue: | art. 6880 |
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Article Number: | 6880 |
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Page Number: | 15 |
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First Page: | 1 |
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Last Page: | 15 |
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Note: | The ODNP NMR data have been deposited in Figshare (https://doi.org/10.6084/m9.figshare.14774433, https://doi.org/10.6084/m9.figshare.14774415). The results of DFT calculations have been deposited in GitHub (https://github.com/xiaohegroup/Simulations-of-Tempol). The full QM/MM trajectory is available from the corresponding authors upon reasonable requests. Source data are provided with this paper. |
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Note: | All input files for the DFT calculations and QM/MM simulations are available via GitHub (https://github.com/xiaohegroup/Simulations-of-Tempol, https://doi.org/10.5281/zenodo.5150908). The codes for analyzing the QM/MM trajectory are available from the corresponding authors upon reasonable requests. |
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Note: | Open Access funding enabled and organized by Projekt DEAL. |
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Institutes: | Biochemie, Chemie und Pharmazie |
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| Wissenschaftliche Zentren und koordinierte Programme / Zentrum für Biomolekulare Magnetische Resonanz (BMRZ) |
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Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
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| 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
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Sammlungen: | Universitätspublikationen |
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Licence (German): | Creative Commons - CC BY - Namensnennung 4.0 International |
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