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From solvent fluctuations to quantitative redox properties of quinones in methanol and acetonitrile |
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| Authors: | VandeVondele Joost Sulpizi Marialore Sprik Michiel |
| Affiliation: | Department of Chemistry, University of Cambridge, UK. jv244@cam.ac.uk |
| Abstract: | |
| Keywords: | density functional calculations electron transfer hydrogen bonds molecular dynamics quinones |
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