| Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions J Claudot, WJ Kim, A Dixit, H Kim, T Gould, D Rocca, S Lebègue The Journal of chemical physics 148 (6), 2018 | 46 | 2018 |
| High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred … EI Howard, B Guillot, MP Blakeley, M Haertlein, M Moulin, A Mitschler, ... IUCrJ 3 (2), 115-126, 2016 | 42 | 2016 |
| Improving the efficiency of beyond-RPA methods within the dielectric matrix formulation: Algorithms and applications to the A24 and S22 test sets A Dixit, J Claudot, S Lebègue, D Rocca Journal of chemical theory and computation 13 (11), 5432-5442, 2017 | 20 | 2017 |
| Communication: A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation A Dixit, J Claudot, S Lebègue, D Rocca The Journal of chemical physics 146 (21), 2017 | 12 | 2017 |
| Computational exploration of Sarin and simulants adsorption on a series of transition metal embedded graphene J Claudot, E Soubeyrand-Lenoir, G Maurin Applied Surface Science 538, 148047, 2021 | 11 | 2021 |
| Competitive adsorption of water and chemical warfare agents on transition metal embedded graphene J Claudot, E Soubeyrand-Lenoir, G Maurin Applied Surface Science 551, 149433, 2021 | 7 | 2021 |
| Methods for converging correlation energies within the dielectric matrix formalism A Dixit, J Claudot, T Gould, S Lebègue, D Rocca Physical Review B 97 (11), 115104, 2018 | 5 | 2018 |
| Molecular insight into the simultaneous capture of sarin/soman by graphene incorporating dual metal sites J Claudot, E Soubeyrand-Lenoir, G Maurin Materials Today Communications 31, 103702, 2022 | | 2022 |
| Développements et applications de méthodes pour la description de l’énergie de corrélation dans les molécules et les solides J Claudot Université de Lorraine, 2018 | | 2018 |
| Improving the efficiency of beyond-RPA methods within the dielectric matrix formulation: Algorithms and applications to the A24 and S22 test sets D Rocca, A Dixit, J Claudot, S Lebegue APS March Meeting Abstracts 2018, V07. 005, 2018 | | 2018 |
| A novel implementation to compute MP2 correlation energies without basis set superposition errors and complete basis set extrapolation A Dixit, J Claudot, S Lebegue, D Rocca APS March Meeting Abstracts 2018, G60. 373, 2018 | | 2018 |
| Docteur de l’Université de Lorraine J Claudot | | |
sebastien lebegueCNRSE-mailová adresa ověřena na: univ-lorraine.fr
