New way for probing bond strength J Klein, H Khartabil, JC Boisson, J Contreras-García, JP Piquemal, ... The Journal of Physical Chemistry A 124 (9), 1850-1860, 2020 | 178 | 2020 |
IGMPlot: A program to identify, characterize, and quantify molecular interactions C Lefebvre, J Klein, H Khartabil, JC Boisson, E Hénon Journal of computational chemistry 44 (20), 1750-1766, 2023 | 28 | 2023 |
Novel approach to accurately predict bond strength and ligand lability in platinum-based anticancer drugs M Ponce-Vargas, J Klein, E Hénon Dalton Transactions 49 (36), 12632-12642, 2020 | 18 | 2020 |
New insights in chemical reactivity from quantum chemical topology J Klein, P Fleurat‐Lessard, J Pilmé Journal of Computational Chemistry 42 (12), 840-854, 2021 | 10 | 2021 |
The Topological Analysis of the ELFx Localization Function: Quantitative Prediction of Hydrogen Bonds in the Guanine–Cytosine Pair J Klein, P Fleurat-Lessard, J Pilmé Molecules 26 (11), 3336, 2021 | 4 | 2021 |
Exploring the Reactivity of Donor-Acceptor Systems through a Combined Conceptual and Constrained DFT Approach J Klein, Johanna, Pilmé Journal of Chemical Theory and Computation 20 (5), 2010-2021, 2024 | 1 | 2024 |
Description et prédiction de processus réactifs par l'analyse topologique de fonctions de localisation électroniques J Klein Sorbonne Université, 2022 | | 2022 |
Introducing the Bond Asymmetry Factor: a New Concept for Probing Chemical Bonds under Perturbations C Lefebvre, J Klein, H Khartabil, JP Piquemal, E Hénon | | 2021 |