Lea M. Ibele
Affiliations: | 2018-2022 | Chemistry | Durham University, Durham, England, United Kingdom |
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| Ibele LM, Sangiogo Gil E, Villaseco Arribas E, et al. (2024) Simulations of photoinduced processes with the exact factorization: state of the art and perspectives. Physical Chemistry Chemical Physics : Pccp |
| Ibele LM, Memhood A, Levine BG, et al. (2024) Ab Initio Multiple Spawning Nonadiabatic Dynamics with Different CASPT2 Flavors: A Fully Open-Source PySpawn/OpenMolcas Interface. Journal of Chemical Theory and Computation |
| Ibele LM, Agostini F. (2024) Exploring Exact-Factorization-Based Trajectories for Low-Energy Dynamics near a Conical Intersection. The Journal of Physical Chemistry. A. 128: 3672-3684 |
| Martín Santa Daría A, Hernández-Rodríguez J, Ibele LM, et al. (2024) Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction. The Journal of Chemical Physics. 160 |
| Figueira Nunes JP, Ibele LM, Pathak S, et al. (2024) Monitoring the Evolution of Relative Product Populations at Early Times during a Photochemical Reaction. Journal of the American Chemical Society |
| Pieroni C, Sangiogo Gil E, Ibele LM, et al. (2024) Investigating the Photodynamics of -Azobenzene with Coupled Trajectories. Journal of Chemical Theory and Computation. 20: 580-596 |
| Arribas EV, Ibele LM, Lauvergnat D, et al. (2023) Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics. Journal of Chemical Theory and Computation. 19: 7787-7800 |
| Ibele LM, Curchod BFE, Agostini F. (2022) A Photochemical Reaction in Different Theoretical Representations. The Journal of Physical Chemistry. A. 126: 1263-1281 |
| Ibele LM, Curchod BFE. (2021) Dynamics near a conical intersection-A diabolical compromise for the approximations of ab initio multiple spawning. The Journal of Chemical Physics. 155: 174119 |
| Vindel-Zandbergen P, Ibele LM, Ha JK, et al. (2021) Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics. Journal of Chemical Theory and Computation |