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Combining molecular dynamics and ab initio quantum-chemistry to describe electron transfer reactions in electrochemical environments |
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| Authors: | Dominguez-Ariza David Hartnig Christoph Sousa Carmen Illas Francesc |
| Institution: | Departament de Quimica Fisica & Centre Especial de Recerca en Quimica Teorica, Universitat de Barcelona & Parc Cientific de Barcelona, C/Marti i Franques 1, E-08028 Barcelona, Spain. |
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