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Journal of Chemical Theory and Computation|November 7, 2024
A Case Study of an Energy Barrier in Li-Ion Battery Cathode Material Using DFT and Post-HF ApproachesLaura Bonometti, Denis Usvyat, Lorenzo MaschioRSC Advances|November 10, 2025
Toward a thermodynamic stability order of the phosphorus allotropesLaura Bonometti, Giuseppe Sansone, Marcos Rivera-Almazo, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|July 31, 2024
Path ahead: Tackling the Challenge of Computationally Estimating Lithium Diffusion in Cathode MaterialsLaura Bonometti, Loredana E Daga, Riccardo Rocca, et al.Pageof 1