| ORBKIT: A modular python toolbox for cross‐platform postprocessing of quantum chemical wavefunction data G Hermann, V Pohl, JC Tremblay, B Paulus, HC Hege, A Schild Journal of Computational Chemistry 37 (16), 1511-1520, 2016 | 106 | 2016 |
| An open‐source framework for analyzing N‐electron dynamics. I. Multideterminantal wave functions V Pohl, G Hermann, JC Tremblay Journal of Computational Chemistry 38 (17), 1515-1527, 2017 | 59 | 2017 |
| Multidirectional angular electronic flux during adiabatic attosecond charge migration in excited benzene G Hermann, CM Liu, J Manz, B Paulus, JF Perez-Torres, V Pohl, ... The Journal of Physical Chemistry A 120 (27), 5360-5369, 2016 | 57 | 2016 |
| An open‐source framework for analyzing N‐electron dynamics. II. Hybrid density functional theory/configuration interaction methodology G Hermann, V Pohl, JC Tremblay Journal of Computational Chemistry 38 (28), 2378-2387, 2017 | 54 | 2017 |
| Probing electronic fluxes via time-resolved X-ray scattering G Hermann, V Pohl, G Dixit, JC Tremblay Physical review letters 124 (1), 013002, 2020 | 39 | 2020 |
| Influence of Mesoionic Carbenes on Electro-and Photoactive Ru and Os Complexes: A Combined (Spectro-) Electrochemical, Photochemical, and Computational Study L Suntrup, F Stein, G Hermann, M Kleoff, M Kuss-Petermann, J Klein, ... Inorganic chemistry 57 (21), 13973-13984, 2018 | 37 | 2018 |
| Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2 T Gomez, G Hermann, X Zarate, JF Pérez-Torres, JC Tremblay Molecules 20 (8), 13830-13853, 2015 | 31 | 2015 |
| Electronic and nuclear flux densities in the H 2 molecule G Hermann, B Paulus, JF Pérez-Torres, V Pohl Physical Review A 89 (5), 052504, 2014 | 28 | 2014 |
| Tuning PtII‐Based Donor–Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and … S Sobottka, M Nößler, AL Ostericher, G Hermann, NZ Subat, J Beerhues, ... Chemistry–A European Journal 26 (6), 1314-1327, 2020 | 25 | 2020 |
| Attosecond angular flux of partial charges on the carbon atoms of benzene in non-aromatic excited state G Hermann, CM Liu, J Manz, B Paulus, V Pohl, JC Tremblay Chemical Physics Letters 683, 553-558, 2017 | 22 | 2017 |
| Ultrafast photoelectron migration in dye-sensitized solar cells: Influence of the binding mode and many-body interactions G Hermann, JC Tremblay The Journal of Chemical Physics 145 (17), 2016 | 22 | 2016 |
| Charge migration in Eyring, Walter and Kimball’s 1944 model of the electronically excited hydrogen-molecule ion DJ Diestler, G Hermann, J Manz The Journal of Physical Chemistry A 121 (28), 5332-5340, 2017 | 18 | 2017 |
| Laser-driven hole trapping in a Ge/Si core–shell nanocrystal: An atomistic configuration interaction perspective G Hermann, JC Tremblay The Journal of Physical Chemistry C 119 (45), 25606-25614, 2015 | 17 | 2015 |
| Electron symmetry breaking during attosecond charge migration induced by laser pulses: Point group analyses for quantum dynamics D Haase, G Hermann, J Manz, V Pohl, JC Tremblay Symmetry 13 (2), 205, 2021 | 14 | 2021 |
| Comprehensive structural characterisation of the newly emerged synthetic cannabimimetics Cumyl-BC [2.2. 1] HpMeGaClone, Cumyl-BC [2.2. 1] HpMINACA, and Cumyl-BC [2.2. 1] HpMICA … B Pulver, J Riedel, T Schönberger, M Pütz, J Schäper, N Kunert, K Putzer, ... Forensic Chemistry 26, 100371, 2021 | 12 | 2021 |
| Substitution pattern controlled aggregation-induced emission in donor–acceptor–donor dyes with one and two propeller-like triphenylamine donors N Nirmalananthan-Budau, JH Budau, D Moldenhauer, G Hermann, ... Physical Chemistry Chemical Physics 22 (25), 14142-14154, 2020 | 10 | 2020 |
| Artificial intelligence in research and development for sustainability: the centrality of explicability and research data management E Hermann, G Hermann AI and Ethics 2 (1), 29-33, 2022 | 9 | 2022 |
| Ethical artificial intelligence in chemical research and development: a dual advantage for sustainability E Hermann, G Hermann, JC Tremblay Science and Engineering Ethics 27, 1-16, 2021 | 7 | 2021 |
| Time-resolved imaging of correlation-driven charge migration in light-induced molecular magnets by X-ray scattering JC Tremblay, V Pohl, G Hermann, G Dixit Faraday Discussions 228, 82-103, 2021 | 7 | 2021 |
| Charge Effects on the Efflorescence in Single Levitated Droplets G Hermann, Y Zhang, B Wassermann, H Fischer, M Quennet, E Rühl The Journal of Physical Chemistry A 121 (36), 6790-6799, 2017 | 5 | 2017 |
Jean Christophe TremblayProfessor, Theoretical and Physical Chemistry Lab, Université de Lorraine, FranceVerified email at univ-lorraine.fr
