publications_temp


2340 documents

  • David Lauvergnat, André Nauts. Smolyak Scheme for solving the Schrödinger equation: Application to Malonaldehyde in Full Dimensionality. ChemPhysChem, 2023, 24 (21), pp.e202300501. ⟨10.1002/cphc.202300501⟩. ⟨hal-04253314⟩
  • S. Kutchukian, M. Chicaud, C. Solano, M. Corrales, L. Candela, et al.. Endoprothèses urétérales : ce que nos yeux ne peuvent pas voir !. 117e congrès français d'urologie, Nov 2023, Paris, France. pp.S98, ⟨10.1016/j.fpurol.2023.07.218⟩. ⟨hal-04402093⟩
  • Damien Tolu. Simulations moléculaires aux temps courts de l'irradiation ionisante de solutions d'extractant du plutonium. Chimie théorique et/ou physique. Université Paris-Saclay, 2023. Français. ⟨NNT : 2023UPASF064⟩. ⟨tel-04426272⟩
  • Mehran Mostafavi. The contribution of Radiation Chemistry to Health and Energy. PUBLIC LECTURE, Ghana Atomic Energy Commission, Oct 2023, ACCRA, Ghana. ⟨hal-04483771⟩
  • Mehran Mostafavi. The contribution of Radiation Chemistry to Health and Energy. Public Lecture, University of Energy and Natural Resources, Oct 2023, Sunyani, Ghana. ⟨hal-04483766⟩
  • Pierre Désesquelles, Dominik Domin, Lejin J Xu, Nguyen-Thi Van-Oanh. Competition between Loss of H2 versus H+H in the Fragmentation of the Fluorene Cation. ChemPhysChem, 2023, ⟨10.1002/cphc.202300241⟩. ⟨hal-04284276⟩
  • Rika Tandiana, Karwan Ali Omar, Eleonora Luppi, Fabien Cailliez, Nguyen-Thi Van-Oanh, et al.. Use of Gaussian Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation, 2023, 19 (21), pp.7740-7752. ⟨10.1021/acs.jctc.3c00656⟩. ⟨hal-04298900⟩
  • Pedro Almeida De Oliveira. Electrochemical and Electrocatalytic Properties of Vanadium-Containing Dawson-Type Polyoxometalates. Sym@Pa, Oct 2023, Paris - Sorbonne Université, France. ⟨hal-04273706⟩
  • Pascal Pernot. Can bin-wise scaling improve consistency and adaptivity of prediction uncertainty for machine learning regression ?. 2023. ⟨hal-04249284⟩
  • Evaristo Villaseco Arribas, Lea M. Ibele, David Lauvergnat, Neepa T Maitra, Federica Agostini. Significance of energy conservation in coupled-trajectory approaches to non-adiabatic dynamics. Journal of Chemical Theory and Computation, 2023, 19 (21), pp.7787-7800. ⟨10.1021/acs.jctc.3c00845⟩. ⟨hal-04292939⟩