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Julien Pilmé
Julien Pilmé
Laboratoire de Chimie Théorique - Sorbonne Université - Paris
Adresse e-mail validée de sorbonne-universite.fr - Page d'accueil
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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
1272019
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
892003
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
842010
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
762004
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
742008
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
692008
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
672016
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
672010
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
632014
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
622005
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
602011
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
502012
New insights in quantum chemical topology studies using numerical grid‐based analyses
D Kozlowski, J Pilme
Journal of computational chemistry 32 (15), 3207-3217, 2011
502011
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
412009
211At-labeled agents for alpha-immunotherapy: On the in vivo stability of astatine-agent bonds
T Ayed, J Pilmé, D Tézé, F Bassal, J Barbet, M Chérel, J Champion, ...
European Journal of Medicinal Chemistry 116, 156-164, 2016
372016
About the detectability of glycine in the interstellar medium
M Lattelais, F Pauzat, J Pilmé, Y Ellinger, C Ceccarelli
Astronomy & Astrophysics 532, A39, 2011
372011
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
352010
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
352010
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
342006
Unusual bond formation in aspartic protease inhibitors: a theoretical study
J Pilmé, H Berthoumieux, V Robert, P Fleurat‐Lessard
Chemistry–A European Journal 13 (19), 5388-5393, 2007
322007
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