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Ab Initio QM/MM Simulation of Electron Transfer Process: Fractional Electron Approach
Electron transfer (ET) reactions are one of the most important processes in chemistry and biology. Because of the quantum nature of the processes and the complicated roles of the solvent, theoretical study of ET processes is challenging. To simulate ET processes at the electronic level, we have deve...
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| Hauptverfasser: | , , , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2008
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3730858/ https://ncbi.nlm.nih.gov/pubmed/18376946 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.2832946 |
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