| Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019 | 151 | 2019 |
| Structure and stability of M− CO, M= first-transition-row metal: An application of density functional theory and topological approaches J Pilme, B Silvi, ME Alikhani The Journal of Physical Chemistry A 107 (22), 4506-4514, 2003 | 97 | 2003 |
| Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory E Gloaguen, B De Courcy, JP Piquemal, J Pilmé, O Parisel, R Pollet, ... Journal of the American Chemical Society 132 (34), 11860-11863, 2010 | 87 | 2010 |
| QTAIM analysis in the context of quasirelativistic quantum calculations J Pilme, E Renault, F Bassal, M Amaouch, G Montavon, N Galland Journal of Chemical Theory and Computation 10 (11), 4830-4841, 2014 | 86 | 2014 |
| An electron localization function study of the geometry of d0 molecules of the period 4 metals Ca to Mn RJ Gillespie, S Noury, J Pilmé, B Silvi Inorganic chemistry 43 (10), 3248-3256, 2004 | 84 | 2004 |
| Advancing beyond charge analysis using the electronic localization function: Chemically intuitive distribution of electrostatic moments J Pilmé, JP Piquemal Journal of Computational Chemistry 29 (9), 1440-1449, 2008 | 79 | 2008 |
| Experimental and theoretical evidences of the influence of hydrogen bonding on the catalytic activity of a series of 2-hydroxy substituted quaternary ammonium salts in the … CC Rocha, T Onfroy, J Pilmé, A Denicourt-Nowicki, A Roucoux, F Launay Journal of Catalysis 333, 29-39, 2016 | 75 | 2016 |
| Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. 1. Application to blood coagulation: Direct cation− protein … B De Courcy, LG Pedersen, O Parisel, N Gresh, B Silvi, J Pilmé, ... Journal of chemical theory and computation 6 (4), 1048-1063, 2010 | 74 | 2010 |
| Differential adsorption of complex organic molecules isomers at interstellar ice surfaces M Lattelais, M Bertin, H Mokrane, C Romanzin, X Michaut, P Jeseck, ... Astronomy & Astrophysics 532, A12, 2011 | 72 | 2011 |
| What can be learnt on biologically relevant systems from the topological analysis of the electron localization function? JP Piquemal, J Pilmé, O Parisel, H Gérard, I Fourré, J Berges, ... International Journal of Quantum Chemistry 108 (11), 1951-1969, 2008 | 70 | 2008 |
| New insights in quantum chemical topology studies using numerical grid‐based analyses D Kozlowski, J Pilmé Journal of computational chemistry 32 (15), 3207-3217, 2011 | 68 | 2011 |
| Comparative Study of the Bonding in the First Series of Transition Metal 1:1 Complexes M−L (M = Sc, ..., Cu; L = CO, N2, C2H2, CN-, NH3, H2O, and F-) J Pilme, B Silvi, ME Alikhani The Journal of Physical Chemistry A 109 (44), 10028-10037, 2005 | 66 | 2005 |
| Introducing the ELF topological analysis in the field of quasirelativistic quantum calculations J Pilmé, E Renault, T Ayed, G Montavon, N Galland Journal of Chemical Theory and Computation 8 (9), 2985-2990, 2012 | 61 | 2012 |
| About the detectability of glycine in the interstellar medium M Lattelais, F Pauzat, J Pilmé, Y Ellinger, C Ceccarelli Astronomy & Astrophysics 532, A39, 2011 | 53 | 2011 |
| 211At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds T Ayed, J Pilmé, D Teze, F Bassal, J Barbet, M Chérel, J Champion, ... European Journal of Medicinal Chemistry 116, 156-164, 2016 | 47 | 2016 |
| H3+ as a trap for noble gases-3: Multiple trapping of neon, argon, and krypton in XnH3+ (n= 1–3) F Pauzat, Y Ellinger, J Pilmé, O Mousis The Journal of chemical physics 130 (17), 2009 | 42 | 2009 |
| Reinterpretation of Three Crystal Structures of Alkali Oxoiodate(V) – Description of the [I3O8]– Anion and the Infinite 2D [I3O8–]∞ Anion I Gautier‐Luneau, Y Suffren, H Jamet, J Pilmé Zeitschrift für anorganische und allgemeine Chemie 636 (7), 1368-1379, 2010 | 41 | 2010 |
| Preliminary study of the influence of environment conditions on the successive hydrogenations of CO C Pirim, L Krim, C Laffon, P Parent, F Pauzat, J Pilmé, Y Ellinger The Journal of Physical Chemistry A 114 (9), 3320-3328, 2010 | 38 | 2010 |
| A Topological Study of the Geometry of AF6E Molecules: Weak and Inactive Lone Pairs J Pilmé, EA Robinson, RJ Gillespie Inorganic chemistry 45 (16), 6198-6204, 2006 | 38 | 2006 |
| Possible survival of simple amino acids to X-ray irradiation in ice: the case of glycine A Pernet, J Pilmé, F Pauzat, Y Ellinger, F Sirotti, M Silly, P Parent, C Laffon Astronomy & Astrophysics 552, A100, 2013 | 33 | 2013 |
