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
113 2016 Quantum control of electronic fluxes during adiabatic attosecond charge migration in degenerate superposition states of benzene D Jia, J Manz, B Paulus, V Pohl, JC Tremblay, Y Yang
Chemical Physics 482, 146-159, 2017
67 2017 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
63 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
58 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
57 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
47 2020 Computation of the electronic flux density in the Born–Oppenheimer approximation DJ Diestler, A Kenfack, J Manz, B Paulus, JF Pérez-Torres, V Pohl
The Journal of Physical Chemistry A 117 (36), 8519-8527, 2013
37 2013 Imaging time-dependent electronic currents through a graphene-based nanojunction V Pohl, LE Marsoner Steinkasserer, JC Tremblay
The Journal of Physical Chemistry Letters 10 (18), 5387-5394, 2019
28 * 2019 Electronic and nuclear flux densities in the G Hermann, B Paulus, JF Pérez-Torres, V Pohl
Physical Review A 89 (5), 052504, 2014
28 2014 Adiabatic electronic flux density: A Born-Oppenheimer broken-symmetry ansatz V Pohl, JC Tremblay
Physical Review A 93 (1), 012504, 2016
24 2016 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 Electronic current mapping of transport through defective zigzag graphene nanoribbons J Shao, V Pohl, LE Marsoner Steinkasserer, B Paulus, JC Tremblay
The Journal of Physical Chemistry C 124 (43), 23479-23489, 2020
19 2020 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
17 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
10 2021 Field-induced conformational change in a single-molecule-graphene–nanoribbon junction: Effect of vibrational energy redistribution V Pohl, JC Tremblay
The Journal of Physical Chemistry C 120 (50), 28808-28819, 2016
6 2016 Cyanographone and isocyanographone—Two asymmetrically functionalized graphene pseudohalides and their potential use in chemical sensing LE Marsoner Steinkasserer, V Pohl, B Paulus
The Journal of chemical physics 148 (8), 084703, 2018
2 2018 Imaging Electronic Fluxes via Time-Resolved X-Ray Scattering G Dixit, JC Tremblay, G Hermann, V Pohl
Bulletin of the American Physical Society 66, 2021
2021 Electronic Motion in Molecular Systems: From the Hydrogen Molecular Ion to Nanostructures V Pohl
2017 Jean Christophe TremblayProfessor, Theoretical and Physical Chemistry Lab, Université de Lorraine, FranceПотвърден имейл адрес: univ-lorraine.fr
