| NCIPLOT: a program for plotting noncovalent interaction regions J Contreras-García, ER Johnson, S Keinan, R Chaudret, JP Piquemal, ... Journal of chemical theory and computation 7 (3), 625-632, 2011 | 3503 | 2011 |
| Noncovalent interaction analysis in fluctuating environments P Wu, R Chaudret, X Hu, W Yang Journal of chemical theory and computation 9 (5), 2226-2234, 2013 | 196 | 2013 |
| Polarizable molecular dynamics simulation of Zn (II) in water using the AMOEBA force field JC Wu, JP Piquemal, R Chaudret, P Reinhardt, P Ren Journal of chemical theory and computation 6 (7), 2059-2070, 2010 | 187 | 2010 |
| Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy R Chaudret, B De Courcy, J Contreras-Garcia, E Gloaguen, ... Physical Chemistry Chemical Physics 16 (21), 9876-9891, 2014 | 180 | 2014 |
| Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions N Gillet, R Chaudret, J Contreras-Garcı́a, W Yang, B Silvi, JP Piquemal Journal of chemical theory and computation 8 (11), 3993-3997, 2012 | 116 | 2012 |
| A complete NCI perspective: from new bonds to reactivity C Narth, Z Maroun, RA Boto, R Chaudret, ML Bonnet, JP Piquemal, ... Applications of Topological Methods in Molecular Chemistry, 491-527, 2016 | 60 | 2016 |
| Toward a deeper understanding of enzyme reactions using the coupled ELF/NCI analysis: application to DNA repair enzymes D Fang, R Chaudret, JP Piquemal, GA Cisneros Journal of Chemical Theory and Computation 9 (5), 2156-2160, 2013 | 56 | 2013 |
| QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis MW van der Kamp, R Chaudret, AJ Mulholland The FEBS Journal 280 (13), 3120-3131, 2013 | 44 | 2013 |
| Impact of functionalized linkers on the energy landscape of ZIFs R Galvelis, B Slater, R Chaudret, B Creton, C Nieto-Draghi, ... CrystEngComm 15 (45), 9603-9612, 2013 | 34 | 2013 |
| Many‐body exchange‐repulsion in polarizable molecular mechanics. I. orbital‐based approximations and applications to hydrated metal cation complexes R Chaudret, N Gresh, O Parisel, JP Piquemal Journal of Computational Chemistry 32 (14), 2949-2957, 2011 | 34 | 2011 |
| S/G-1: An ab initio force-field blending frozen hermite gaussian densities and distributed multipoles. Proof of concept and first applications to metal cations R Chaudret, N Gresh, C Narth, L Lagardere, TA Darden, GA Cisneros, ... The Journal of Physical Chemistry A 118 (35), 7598-7612, 2014 | 27 | 2014 |
| Electron Pair Localization Function (EPLF) for Density Functional Theory and ab Initio Wave Function-Based Methods: A New Tool for Chemical Interpretation A Scemama, M Caffarel, R Chaudret, JP Piquemal Journal of Chemical Theory and Computation 7 (3), 618-624, 2011 | 23 | 2011 |
| Correlation between electron localization and metal ion mutagenicity in DNA synthesis from QM/MM calculations R Chaudret, JP Piquemal, GA Cisneros Physical Chemistry Chemical Physics 13 (23), 11239-11247, 2011 | 20 | 2011 |
| Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces: models for the prediction of performance of eco-designed … BJ Coscia, JC Shelley, AR Browning, JM Sanders, R Chaudret, R Rozot, ... Physical Chemistry Chemical Physics 25 (3), 1768-1780, 2023 | 16 | 2023 |
| Nonclassical CH− π supramolecular interactions in artemisinic acid favor a single conformation, yielding high diastereoselectivity in the reduction with diazene B Castro, R Chaudret, G Ricci, M Kurz, P Ochsenbein, G Kretzschmar, ... The Journal of Organic Chemistry 79 (13), 5939-5947, 2014 | 13 | 2014 |
| Further refinements of next-generation force fields—Nonempirical localization of off-centered points in molecules R Chaudret, N Gresh, GA Cisneros, A Scemama, JP Piquemal Canadian Journal of Chemistry 91 (9), 804-810, 2013 | 13 | 2013 |
| Unraveling Low‐Barrier Hydrogen Bonds in Complex Systems with a Simple Quantum Topological Criterion R Chaudret, GA Cisneros, O Parisel, JP Piquemal Chemistry–A European Journal 17 (10), 2833-2837, 2011 | 13 | 2011 |
| Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs R Chaudret, JM Parks, W Yang The Journal of Chemical Physics 138 (4), 2013 | 10 | 2013 |
| Catalytic Mechanism of 4-Oxalocrotonate Tautomerase: Significances of Protein–Protein Interactions on Proton Transfer Pathways P Wu, GA Cisneros, H Hu, R Chaudret, X Hu, W Yang The Journal of Physical Chemistry B 116 (23), 6889-6897, 2012 | 10 | 2012 |
| Theoretical modeling of thermal decomposition of methylnaphthalene derivatives: influence of substituents R Chaudret, A Bick, X Krokidis Energy & Fuels 30 (8), 6817-6821, 2016 | 9 | 2016 |
