Dernières Publications Déposées dans la Collection HAL-EXPLOR
- Francisco Paes, Baptiste Sirjean, Jean-Noël Jaubert, Romain Privat. Using COSMO-SAC models in the mixing rules of the translated-consistent Peng-Robinson equation-of-state: a rigorous benchmarking across a broad and diverse database. Chemical Engineering Science, 2026, 324, pp.123300. ⟨10.1016/j.ces.2026.123300⟩. ⟨hal-05458297⟩
- Roméo Veillet. Apport de la chimie quantique et des modèles cinétiques de combustion à l’étude des atmosphères d’exoplanètes. Astrophysique [astro-ph]. Université Paris Cité, 2024. Français. ⟨NNT : 2024UNIP7313⟩. ⟨tel-05417699⟩
- Francisco Paes, Gabriel de Souza Batalha, Fabiola Citrangolo Destro, René Fournet, Romain Privat, et al.. Integrating Solvent Effects into the Prediction of Kinetic Constants Using a COSMO-Based Equation of State. Journal of Chemical Theory and Computation, 2025, 21 (7), pp.3625-3648. ⟨10.1021/acs.jctc.5c00133⟩. ⟨hal-05029261⟩
- Romain Avril, Stéphane Heuraux, Etienne Gravier, Francesco Volpe, Jérôme Moritz. Particle-in-Cell simulations of lithium redeposition in plasma sheaths under oblique magnetic fields. 2025. ⟨hal-04834767v3⟩
- Omid Mokhtari, Emmanuelle Bignon, Hamed Khakzad, Yasaman Karami. DynaRepo: the repository of macromolecular conformational dynamics. Nucleic Acids Research, 2025, pp.gkaf1130. ⟨10.1093/nar/gkaf1130⟩. ⟨hal-05404177⟩


