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Breuer, Marian;Zarzycki, Piotr;Blumberger, Jochen;Rosso, Kevin M.
Thermodynamics of Electron Flow in the Bacterial Deca-heme Cytochrome MtrF
J. Am. Chem. Soc.
2012
134
24
9868-9871
McKenna, Keith P.;Blumberger, Jochen
Crossover from incoherent to coherent electron tunneling between defects in MgO
Phys. Rev. B
2012
86
24
Gajdos, Fruzsina;Oberhofer, Harald;Dupuis, Michel;Blumberger, Jochen
On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)
J. Phys. Chem. Lett.
2013
4
6
1012-1017
Breuer, M.;Rosso, K. M.;Blumberger, J.
Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentials
Proceedings of the National Academy of Sciences
2014
111
2
611-616
Kubas, Adam;Hoffmann, Felix;Heck, Alexander;Oberhofer, Harald;Elstner, Marcus;Blumberger, Jochen
Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations
The Journal of Chemical Physics
2014
140
10
104105
Fourmond, Vincent;Greco, Claudio;Sybirna, Kateryna;Baffert, Carole;Wang, Po-Hung;Ezanno, Pierre;Montefiori, Marco;Bruschi, Maurizio;Meynial-Salles, Isabelle;Soucaille, Philippe;Blumberger, Jochen;Bottin, Hervé;De Gioia, Luca;Léger, Christophe
The oxidative inactivation of FeFe hydrogenase reveals the flexibility of the H-cluster
Nature Chemistry
2014
6
4
336-342
Blumberger, Jochen
Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions
Chemical Reviews
2015
115
20
11191-11238
von Rudorff, Guido Falk;Jakobsen, Rasmus;Rosso, Kevin M.;Blumberger, Jochen
Fast Interconversion of Hydrogen Bonding at the Hematite (001)–Liquid Water Interface
J. Phys. Chem. Lett.
2016
7
7
1155-1160
Kubas, Adam;Orain, Christophe;De Sancho, David;Saujet, Laure;Sensi, Matteo;Gauquelin, Charles;Meynial-Salles, Isabelle;Soucaille, Philippe;Bottin, Hervé;Baffert, Carole;Fourmond, Vincent;Best, Robert B.;Blumberger, Jochen;Léger, Christophe
Mechanism of O2 diffusion and reduction in FeFe hydrogenases
Nature Chemistry
2016
Spencer, J.;Gajdos, F.;Blumberger, J.
FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials
The Journal of Chemical Physics
2016
145
6
064102
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