| SHARC2. 1: Surface hopping including arbitrary couplings–program package for non-adiabatic dynamics S Mai, M Richter, M Heindl, M Menger, A Atkins, M Ruckenbauer, ... sharc-md. org 30, 2019 | 88 | 2019 |
| Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring opening S Pathak, LM Ibele, R Boll, C Callegari, A Demidovich, B Erk, R Feifel, ... Nature chemistry 12 (9), 795-800, 2020 | 71 | 2020 |
| A molecular perspective on Tully models for nonadiabatic dynamics LM Ibele, BFE Curchod Physical Chemistry Chemical Physics 22 (27), 15183-15196, 2020 | 69 | 2020 |
| On the theoretical determination of photolysis properties for atmospheric volatile organic compounds A Prlj, LM Ibele, E Marsili, BFE Curchod The journal of physical chemistry letters 11 (14), 5418-5425, 2020 | 39 | 2020 |
| Study of the decoherence correction derived from the exact factorization approach for nonadiabatic dynamics P Vindel-Zandbergen, LM Ibele, JK Ha, SK Min, BFE Curchod, NT Maitra Journal of Chemical Theory and Computation 17 (7), 3852-3862, 2021 | 37 | 2021 |
| Excimer intermediates en route to long-lived charge-transfer states in single-stranded adenine DNA as revealed by nonadiabatic dynamics LM Ibele, PA Sanchez-Murcia, S Mai, JJ Nogueira, L González The Journal of Physical Chemistry Letters 11 (18), 7483-7488, 2020 | 28 | 2020 |
| Comparing (stochastic-selection) ab initio multiple spawning with trajectory surface hopping for the photodynamics of cyclopropanone, fulvene, and dithiane LM Ibele, Y Lassmann, TJ Martínez, BFE Curchod The Journal of Chemical Physics 154 (10), 2021 | 26 | 2021 |
| A photochemical reaction in different theoretical representations LM Ibele, BFE Curchod, F Agostini The Journal of Physical Chemistry A 126 (7), 1263-1281, 2022 | 21 | 2022 |
| Excited-state dynamics of molecules with classically driven trajectories and Gaussians LM Ibele, A Nicolson, BFE Curchod Molecular Physics 118 (8), e1665199, 2020 | 16 | 2020 |
| On the nature of geometric and topological phases in the presence of conical intersections LM Ibele, E Sangiogo Gil, BFE Curchod, F Agostini The journal of physical chemistry letters 14 (51), 11625-11631, 2023 | 13 | 2023 |
| G-CTMQC F Agostini, E Marsili, F Talotta, C Pieroni, EV Arribas, LM Ibele, ES Gil available via the Internet at: gitlab. com/agostini. work/g-ctmqc, 2021 | 11 | 2021 |
| Significance of energy conservation in coupled-trajectory approaches to nonadiabatic dynamics EV Arribas, LM Ibele, D Lauvergnat, NT Maitra, F Agostini Journal of Chemical Theory and Computation 19 (21), 7787-7800, 2023 | 8 | 2023 |
| Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories C Pieroni, E Sangiogo Gil, LM Ibele, M Persico, G Granucci, F Agostini Journal of Chemical Theory and Computation 20 (2), 580-596, 2024 | 7 | 2024 |
| Dynamics near a conical intersection—A diabolical compromise for the approximations of ab initio multiple spawning LM Ibele, BFE Curchod The Journal of Chemical Physics 155 (17), 2021 | 7 | 2021 |
| The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1, 1-difluoroethylene S Gómez, LM Ibele, L González Physical Chemistry Chemical Physics 21 (9), 4871-4878, 2019 | 7 | 2019 |
| Monitoring the evolution of relative product populations at early times during a photochemical reaction JP Figueira Nunes, LM Ibele, S Pathak, AR Attar, S Bhattacharyya, R Boll, ... Journal of the American Chemical Society 146 (6), 4134-4143, 2024 | 5 | 2024 |
| Exact factorization of the electron-nuclear wavefunction: Fundamentals and algorithms LM Ibele, C Pieroni, F Talotta, BFE Curchod, D Lauvergnat, F Agostini Comprehensive Computational Chemistry, 2023 | 4 | 2023 |
| Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction A Martín Santa Daría, J Hernández-Rodríguez, LM Ibele, S Gómez The Journal of Chemical Physics 160 (11), 2024 | 2 | 2024 |
| Ab Initio Multiple Spawning nonadiabatic dynamics with different CASPT2 flavors: A fully open-source PySpawn/OpenMolcas interface LM Ibele, A Memhood, BG Levine, D Avagliano Journal of Chemical Theory and Computation, 2024 | 1 | 2024 |
| From low dimensions to full configuration space: Generalising models for nonadiabatic molecular dynamics LEA IBELE Durham University, 2022 | 1 | 2022 |
