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Isabelle Fourré
Isabelle Fourré
Maîtresse de conférences (assistant professor), Sorbonne université, laboratoire de chimie théorique
Bestätigte E-Mail-Adresse bei sorbonne-universite.fr
Titel
Zitiert von
Zitiert von
Jahr
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
1522005
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
702008
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
622007
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
521999
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
462004
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
442012
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
382010
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
332013
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
322002
Vibrational structure of the Ar NO+ van der Waals cation
I Fourré, M Raoult
Chemical physics 199 (2-3), 215-225, 1995
191995
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
182008
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
181994
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
172019
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
172016
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
162007
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
142020
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
112016
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
91996
Organohelium compounds: structures, stabilities and chemical bonding analyses
I Fourré, E Alvarez, P Chaquin
ChemPhysChem 15 (3), 467-477, 2014
32014
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
12021
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