The topological analysis of the electron localization function. A key for a position space representation of chemical bonds B Silvi, I Fourré, ME Alikhani Monatshefte für Chemie/Chemical Monthly 136, 855-879, 2005 | 152 | 2005 |
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 |
What can we learn from two‐center three‐electron bonding with the topological analysis of ELF? I Fourré, B Silvi Heteroatom Chemistry: An International Journal of Main Group Elements 18 (2 …, 2007 | 62 | 2007 |
Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds I Fourré, B Silvi, P Chaquin, A Sevin Journal of computational chemistry 20 (9), 897-910, 1999 | 52 | 1999 |
Structural and topological characterization of the three-electron bond: The SO radicals I Fourré, J Bergès The Journal of Physical Chemistry A 108 (5), 898-906, 2004 | 46 | 2004 |
The one-electron reduction potential of methionine-containing peptides depends on the sequence J Bergès, P de Oliveira, I Fourré, C Houée-Levin The Journal of Physical Chemistry B 116 (31), 9352-9362, 2012 | 44 | 2012 |
Structural and topological studies of methionine radical cations in dipeptides: electron sharing in two-center three-electron bonds I Fourré, J Berges, C Houée-Levin The Journal of Physical Chemistry A 114 (27), 7359-7368, 2010 | 38 | 2010 |
Quantum chemical topology study of the water-platinum (II) interaction J Bergès, I Fourré, J Pilmé, J Kozelka Inorganic Chemistry 52 (3), 1217-1227, 2013 | 33 | 2013 |
Topological characterization of three-electron-bonded radical anions I Fourre, B Silvi, A Sevin, H Chevreau The Journal of Physical Chemistry A 106 (11), 2561-2571, 2002 | 32 | 2002 |
Vibrational structure of the Ar NO+ van der Waals cation I Fourré, M Raoult Chemical physics 199 (2-3), 215-225, 1995 | 19 | 1995 |
Topological and spectroscopic study of three-electron bonded compounds as models of radical cations of methionine-containing dipeptides I Fourré, J Bergès, B Braïda, C Houée-Levin Chemical Physics Letters 467 (1-3), 164-169, 2008 | 18 | 2008 |
Application of generalized quantum defect theory to van der Waals complex bound state calculations I Fourre, M Raoult The Journal of chemical physics 101 (10), 8709-8725, 1994 | 18 | 1994 |
Formation of amines: Hydrogenation of nitrile and isonitrile as selective routes in the interstellar medium T Nguyen, I Fourré, C Favre, C Barois, E Congiu, S Baouche, ... Astronomy & Astrophysics 628, A15, 2019 | 17 | 2019 |
About the detection of urea in the interstellar medium: the energetic aspect I Fourré, L Rosset, H Chevreau, Y Ellinger Astronomy & Astrophysics 589, A18, 2016 | 17 | 2016 |
How the topological analysis of the electron localization function accounts for the inductive effect I Fourré, H Gérard, B Silvi Journal of Molecular Structure: THEOCHEM 811 (1-3), 69-76, 2007 | 16 | 2007 |
Relative thermodynamic stability of the [C, N, O] linkages as an indication of the most abundant structures in the ISM I Fourré, O Matz, Y Ellinger, JC Guillemin Astronomy & Astrophysics 639, A16, 2020 | 14 | 2020 |
Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: A joint thermodynamics, kinetics, and topological study I Fourré, F Di Meo, P Podloucká, M Otyepka, P Trouillas Journal of molecular modeling 22, 1-14, 2016 | 11 | 2016 |
Classical trajectory study of orientation and alignment effects for charge exchange processes in H+- Na*(3p m) collisions I Fourré, C Courbin Zeitschrift für Physik D Atoms, Molecules and Clusters 38, 103-111, 1996 | 9 | 1996 |
Organohelium compounds: structures, stabilities and chemical bonding analyses I Fourré, E Alvarez, P Chaquin ChemPhysChem 15 (3), 467-477, 2014 | 3 | 2014 |
Triggering Electron Transfer in Co (I) Dimers: Computational Evidences for a Reversible Disproportionation Mechanism M Guillaumont, I Fourré, J Pilmé, S Halbert, H Gérard ChemPhysChem 22 (8), 788-795, 2021 | 1 | 2021 |