Mechanism of Efficient Proton Conduction in Diphosphoric Acid Elucidated via First-Principles Simulation and NMR RA Krueger, L Vilčiauskas, JP Melchior, G Bester, KD Kreuer The Journal of Physical Chemistry B 119 (52), 15866-15875, 2015 | 31 | 2015 |
Predicting aromatic exciplex fluorescence emission energies RA Krueger, G Blanquart Physical Chemistry Chemical Physics 21 (20), 10325-10335, 2019 | 23 | 2019 |
Exciplex Stabilization in Asymmetric Acene Dimers RA Krueger, G Blanquart The Journal of Physical Chemistry A 123 (9), 1796-1806, 2019 | 15 | 2019 |
Centrality measures highlight proton traps and access points to proton highways in kinetic Monte Carlo trajectories RA Krueger, FG Haibach, DL Fry, MA Gomez The Journal of chemical physics 142 (15), 154110, 2015 | 14 | 2015 |
Multireference exciplex binding energies: Basis set convergence and error RA Krueger, G Blanquart International Journal of Quantum Chemistry 119 (5), e25819, 2019 | 10 | 2019 |
Predicting the photoresponse of soot nuclei: Spectroscopic characteristics of aromatic aggregates containing five-membered rings RA Krueger, G Blanquart Combustion and Flame 217, 85-92, 2020 | 3 | 2020 |
Theoretical Characterization of Aromatic Exciplex Fluorescence RA Krueger California Institute of Technology, 2020 | | 2020 |
Equilibrium geometries and binding energy scaling relationships for aromatic excimers and exciplexes: A TDDFT and NEVPT2 study R Krueger, G Blanquart | | 2017 |
Determining and Understanding Long-Range Proton Conduction Pathways and Patterns in Perovskite Systems R Krueger | | 2013 |