Insights from quantum chemical calculations into inner and outer-sphere complexation of plutonium (IV) by monoamide and carbamide extractants A Failali, E Acher, V Vallet, F Réal, D Guillaumont Physical Chemistry Chemical Physics 23 (3), 2229-2237, 2021 | 3 | 2021 |
Structural and thermodynamics properties of pure phase alkanes, monoamides and alkane/monoamide mixtures with an ab initio based force-field model A Failali, E Acher, D Guillaumont, V Vallet, F Réal Journal of Molecular Liquids 363, 119797, 2022 | | 2022 |
Nuclear recycling process: the new extracting molecules bring new challenges for molecular modelling A Failali, D Guillaumont, E Acher, V Vallet, F Réal SolvATE2021: Scientific Meeting of the GdR SolvATE, 2021 | | 2021 |
Modélisation moléculaire des phases organiques après extraction de plutonium A Failali | | 2021 |
Molecular modeling of organic phases after plutonium extraction A Failali Université de Lille, 2021 | | 2021 |
Theoretical study of Plutonium complexes with monoamides A Failali, D Guillaumont, E Acher, V Vallet, F Réal 12th European Conference on Computational Theoretical Chemistry, 2019 | | 2019 |