Josep Maria Bofill
Affiliations: | Chemistry Faculty | Universitat de Barcelona, Barcelona, Cataluña, Spain |
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| Bofill JM, Severi M, Quapp W, et al. (2023) An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system. The Journal of Chemical Physics. 159 |
| Bofill JM, Quapp W, Albareda G, et al. (2022) Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method. Journal of Chemical Theory and Computation. 18: 935-952 |
| Bofill JM, Valero R, Ribas-Ariño J, et al. (2021) Barnes Update Applied in the Gauss-Newton Method: An Improved Algorithm to Locate Bond Breaking Points. Journal of Chemical Theory and Computation. 17: 996-1007 |
| Albareda G, Riera A, González M, et al. (2020) Quantum equilibration of the double-proton transfer in a model system porphine. Physical Chemistry Chemical Physics : Pccp |
| Quapp W, Bofill JM. (2019) Some Mathematical Reasoning on the Artificial Force Induced Reaction Method. Journal of Computational Chemistry. 41: 629-634 |
| Quapp W, Bofill JM. (2019) Comment on "Exploring Potential Energy Surface with External Forces". Journal of Chemical Theory and Computation. 16: 811-815 |
| Bofill JM, Ribas-Ariño J, Valero R, et al. (2019) Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States. Journal of Chemical Theory and Computation |
| Carreras A, Fuligni L, Alemany P, et al. (2019) Conformational analysis of enantiomerization coupled to internal rotation in triptycyl-n-helicenes. Physical Chemistry Chemical Physics : Pccp. 21: 11395-11404 |
| Anglada JM, Bofill JM. (2019) Electronic Structure and Unimolecular Reactions of Cyclopropenone Carbonyl Oxide. A Theoretical Study. The Journal of Organic Chemistry. 62: 2720-2726 |
| Quapp W, Bofill JM. (2019) A model for a driven Frenkel–Kontorova chain The European Physical Journal B. 92 |