Fruzsina Gajdos

Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II

Adam Kubas, Fruzsina Gajdos, Alexander Heck et al. · Physical Chemistry Chemical Physics · 2014 · 132 citations

Hab11 Database, Engineering, Proton-coupled Electron Transfer +17

Ultrafast Estimation of Electronic Couplings for Electron Transfer between π-Conjugated Organic Molecules

Fruzsina Gajdos, Siim Valner, F. Hoffmann et al. · Journal of Chemical Theory and Computation · 2014 · 86 citations

Charge Excitations, Engineering, Proton-coupled Electron Transfer +18

Kinetics of trifurcated electron flow in the decaheme bacterial proteins MtrC and MtrF

Xiuyun Jiang, Bastian Burger, Fruzsina Gajdos et al. · Proceedings of the National Academy of Sciences · 2019 · 86 citations · Full text

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

Jacob Spencer, Fruzsina Gajdos, Jochen Blumberger · The Journal of Chemical Physics · 2016 · 74 citations

Engineering, Fob-sh Methodology, Excitation Energy Transfer +20

On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)

Fruzsina Gajdos, Harald Oberhofer, Michel Dupuis et al. · The Journal of Physical Chemistry Letters · 2013 · 67 citations

Engineering, Organic Electronics, Organic Solar Cell +17