| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 550 | 2019 |
| The IPEA dilemma in CASPT2 JP Zobel, JJ Nogueira, L González Chemical science 8 (2), 1482-1499, 2017 | 196 | 2017 |
| Mechanism of Ultrafast Intersystem Crossing in 2‐Nitronaphthalene JP Zobel, JJ Nogueira, L González Chemistry–A European Journal 24 (20), 5379-5387, 2018 | 50 | 2018 |
| Finite-temperature Wigner phase-space sampling and temperature effects on the excited-state dynamics of 2-nitronaphthalene JP Zobel, JJ Nogueira, L González Physical Chemistry Chemical Physics 21 (26), 13906-13915, 2019 | 33 | 2019 |
| The ANO-R basis set JP Zobel, PO Widmark, V Veryazov Journal of Chemical Theory and Computation 16 (1), 278-294, 2019 | 32 | 2019 |
| The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes JP Zobel, L Gonzalez JACS Au 1 (8), 1116–1140, 2021 | 26 | 2021 |
| Surface hopping dynamics on vibronic coupling models JP Zobel, M Heindl, F Plasser, S Mai, L González Accounts of chemical research 54 (20), 3760-3771, 2021 | 25 | 2021 |
| Quenching of charge transfer in nitrobenzene induced by vibrational motion JP Zobel, JJ Nogueira, L González The Journal of Physical Chemistry Letters 6 (15), 3006-3011, 2015 | 25 | 2015 |
| Vibrational sampling and solvent effects on the electronic structure of the absorption spectrum of 2-nitronaphthalene JP Zobel, M Heindl, JJ Nogueira, L González Journal of Chemical Theory and Computation 14 (6), 3205-3217, 2018 | 23 | 2018 |
| Intersystem crossing and triplet dynamics in an iron (II) N-heterocyclic carbene photosensitizer JP Zobel, OS Bokareva, P Zimmer, C Wölper, M Bauer, L González Inorganic chemistry 59 (20), 14666-14678, 2020 | 21 | 2020 |
| Ultrafast and long-time excited state kinetics of an NIR-emissive vanadium (III) complex II. Elucidating Triplet-to-Singlet Excited-State Dynamics JP Zobel, T Knoll, L Gonzalez Chemical Science 12, 10791-10801, 2021 | 19 | 2021 |
| Spin–orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane M Pernpointner, JP Zobel, E Fasshauer, AN Sil Chemical Physics 407, 39-45, 2012 | 12 | 2012 |
| Strong configuration interaction in the double ionization spectra of noble gases studied by the relativistic propagator method M Pernpointner, JP Zobel, NV Kryzhevoi Physical Review A 85 (1), 012505, 2012 | 11 | 2012 |
| New compact density matrix averaged ANO basis sets for relativistic calculations PO Widmark, JP Zobel, VP Vysotskiy, T Tsuchiya, V Veryazov The Journal of Chemical Physics 149 (19), 194102, 2018 | 9 | 2018 |
| peri-Acenoacene Ribbons with Zigzag BN-Doped Peripheries M Franceschini, M Crosta, RR Ferreira, D Poletto, N Demitri, JP Zobel, ... Journal of the American Chemical Society 144 (47), 21470-21484, 2022 | 6 | 2022 |
| Bound→ free and bound→ bound multichannel emission spectra from selectively excited Rydberg states in the ZnAr and CdAr van der Waals complexes J Dudek, A Kędziorski, JP Zobel, M Krośnicki, T Urbańczyk, K Puczka, ... Journal of Molecular Structure 1222, 128840, 2020 | 6 | 2020 |
| Nonadiabatic Dynamics Simulation Predict Intersystem Crossing in Nitroaromatic Molecules on a Picosecond Time Scale JP Zobel, L González ChemPhotoChem 3 (9), 833-845, 2019 | 6 | 2019 |
| Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes? JP Zobel, A Kruse, O Baig, S Lochbrunner, SI Bokarev, O Kühn, ... Chemical Science 14 (6), 1491-1502, 2023 | 4 | 2023 |
| Correction to “The ANO-R Basis Set” JP Zobel, PO Widmark, V Veryazov Journal of Chemical Theory and Computation 17 (5), 3233-3234, 2021 | 4 | 2021 |
| Communication: electron transfer mediated decay enabled by spin-orbit interaction in small krypton/xenon clusters JP Zobel, NV Kryzhevoi, M Pernpointner The Journal of Chemical Physics 140 (16), 161103, 2014 | 4 | 2014 |
