Pragmatic approach to photodynamics: Mixed Landau–Zener surface hopping with intersystem crossing J Suchan, J Janoš, P Slavicek Journal of Chemical Theory and Computation 16 (9), 5809-5820, 2020 | 52 | 2020 |
Porphyrin as a versatile visible-light-activatable organic/metal hybrid photoremovable protecting group AR Sekhar, Y Chitose, J Janoš, SI Dangoor, A Ramundo, ... Nature communications 13 (1), 3614, 2022 | 28 | 2022 |
Wavelength-dependent photochemistry and biological relevance of a bilirubin dipyrrinone subunit D Madea, S Mahvidi, D Chalupa, T Mujawar, A Dvořák, L Muchová, ... The Journal of Organic Chemistry 85 (20), 13015-13028, 2020 | 18 | 2020 |
What controls the quality of photodynamical simulations? Electronic structure versus nonadiabatic algorithm J Janoš, P Slavíček Journal of Chemical Theory and Computation 19 (22), 8273-8284, 2023 | 16 | 2023 |
Conformational control of the photodynamics of a bilirubin dipyrrinone subunit: Femtosecond spectroscopy combined with nonadiabatic simulations J Janoš, D Madea, S Mahvidi, T Mujawar, J Švenda, J Suchan, ... The Journal of Physical Chemistry A 124 (50), 10457-10471, 2020 | 8 | 2020 |
Predicting the photodynamics of cyclobutanone triggered by a laser pulse at 200 nm and its MeV-UED signals—A trajectory surface hopping and XMS-CASPT2 perspective J Janoš, JP Figueira Nunes, D Hollas, P Slavíček, BFE Curchod The Journal of Chemical Physics 160 (14), 2024 | 4 | 2024 |
On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CF3COCl J Janoš, IS Vinklárek, J Rakovský, DP Mukhopadhyay, BFE Curchod, ... ACS Earth and Space Chemistry 7 (11), 2275-2286, 2023 | 3 | 2023 |
Visible-light-activated carbon monoxide release from porphyrin–flavonol hybrids A Ramundo, J Janoš, L Muchová, M Srankova, J Dostál, M Kloz, L Vítek, ... Journal of the American Chemical Society 146 (1), 920-929, 2023 | 2 | 2023 |
Deconvolution of the X-ray absorption spectrum of trans-1, 3-butadiene with resonant Auger spectroscopy DMP Holland, J Suchan, J Janoš, C Bacellar, L Leroy, TR Barillot, ... Physical Chemistry Chemical Physics, 2024 | 1 | 2024 |
Including photoexcitation explicitly in trajectory-based nonadiabatic dynamics at no cost J Janoš, P Slavíček, BFE Curchod arXiv preprint arXiv:2408.17359, 2024 | | 2024 |