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Dr. Gunter Hermann
Dr. Gunter Hermann
Quantum Chemist | Entrepreneur | Scientific Researcher | AI Specialist
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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
872016
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
512016
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
402017
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
352017
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
312018
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
302015
Probing electronic fluxes via time-resolved X-ray scattering
G Hermann, V Pohl, G Dixit, JC Tremblay
Physical review letters 124 (1), 013002, 2020
272020
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
272014
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
192017
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), 174704, 2016
162016
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
162015
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
152017
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
132020
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
92020
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 Schoenberger, M Pütz, J Schaeper, N Kunert, ...
Forensic Chemistry 26, 100371, 2021
82021
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
72021
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
52021
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
52017
Artificial intelligence in research and development for sustainability: the centrality of explicability and research data management
E Hermann, G Hermann
AI and Ethics, 1-5, 2022
42022
Dipole-induced transition orbitals: a novel tool for investigating optical transitions in extended systems
G Hermann, LE Marsoner Steinkasserer, B Paulus, JC Tremblay
The Journal of Physical Chemistry Letters 9 (22), 6624-6630, 2018
32018
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
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