F. Hoffmann

Electronic couplings for molecular charge transfer: Benchmarking CDFT, FODFT, and FODFTB against high-level <i>ab initio</i> calculations

Adam Kubas, F. Hoffmann, Alexander Heck et al. · The Journal of Chemical Physics · 2014 · 199 citations

Charge Excitations, Engineering, Proton-coupled Electron Transfer +20

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

Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of Unknowns

F. Hoffmann, Dawei Li, Daniel Sebastiani et al. · The Journal of Physical Chemistry A · 2017 · 37 citations · Full text

Ultrafast Proton Transport between a Hydroxy Acid and a Nitrogen Base along Solvent Bridges Governed by the Hydroxide/Methoxide Transfer Mechanism

Maria Ekimova, F. Hoffmann, Gül Bekçioğlu-Neff et al. · Journal of the American Chemical Society · 2019 · 34 citations · Full text

Combined Experimental and Theoretical Study of the Transient IR Spectroscopy of 7-Hydroxyquinoline in the First Electronically Excited Singlet State

F. Hoffmann, Maria Ekimova, Gül Bekçioğlu-Neff et al. · The Journal of Physical Chemistry A · 2016 · 18 citations