|
09:00 - 09:40
|
Longo - Quantum Mechanics illuminating experimental results (Amphi Friedel) - Elson Longo |
|
|
09:40 - 10:00
|
Sambrano - Theoretical Study of Porous Surfaces Derived from Graphene and Boron Nitride (Amphi Friedel) - Julio Sambrano |
|
|
10:00 - 10:20
|
Lacaze-Dufaure - 8-hydroxyquinoline as a 'green' corrosion inhibitor of Al: a DFT study (Amphi Friedel) - Corinne Lacaze-Dufaure |
|
|
10:20 - 10:50
|
Pause café (Hall, Couloir ENSCP) |
|
|
10:50 - 11:10
|
Casassa - CRYSTAL17, a code for dealing with huge systems and tiny effects (Amphi Friedel) - Silvia Casassa |
|
|
11:10 - 11:30
|
Filhol - Ab initio study of the Solvent-Electrode Interface under electrochemical conditions (Amphi Friedel) - Jean-Sébastien Filhol |
|
|
11:30 - 11:50
|
Osorio - Theoretical design of new metal hydrides NiMg3AlH2n -, n = 1-6 (Amphi Friedel) - Edison Osorio |
|
|
11:50 - 12:10
|
Lasorne - Diabatic Strategies for Molecular Photodynamics (Amphi Friedel) - Benjamin Lasorne |
|
|
12:20 - 14:20
|
Déjeuner (Déjeuner ) |
|
|
14:20 - 15:00
|
Doublet - Conceptual Approaches to High-Energy-Density Materials for Li-Ion Batteries (Amphi Friedel) - Marie-Liesse Doublet |
|
|
15:00 - 15:20
|
Cuko - Nanoscale mixing favourability of Titanium and Silicon Oxide materials (Amphi Friedel) - Andi Cuko |
|
|
15:00 - 15:20
|
Alary - Etude mécanistique de la photoaquation d'un complexe polypyridylique de ruthénium (Amphi Moissan) - Fabienne Alary |
|
|
15:20 - 15:40
|
Rossi Fernández - The adsorption of dopamine on nitrogen-doped graphene: a DFT study (Amphi Friedel) - Anna Cecilia Rossi Fernández |
|
|
15:20 - 15:40
|
Malherbe - Phase transition and dynamics of a confined colloidal mixture in an external field: a simulation study (Amphi Moissan) - Jean-Guillaume Malherbe |
|
|
15:40 - 16:10
|
Pause café (Hall, Couloir ENSCP) |
|
|
16:10 - 16:30
|
Sicilia - Theoretical studies on the mechanism of ammonia borane and amine–borane dehydrogenation by precious and non-precious transition metal-based catalysts (Amphi Friedel) - Emilia Sicilia |
|
|
16:10 - 16:30
|
Herrera - Chemical Reactivity: Undertstanding Reaction Mechanisms from The Reaction Force and The Reaction Electronic Flux Perspective (Amphi Moissan) - Barbara Herrera |
|
|
16:30 - 16:50
|
Zhu - Caractérisation d'interactions 3-centres/2-électrons pour le stockage de l'hydrogène (Amphi Friedel) - Jingwen Zhu |
|
|
16:30 - 16:50
|
Rodriguez-Mayorga - Breaking bonds from an intracule perspective (Amphi Moissan) - Mauricio Rodriguez-Mayorga |
|
|
16:50 - 17:10
|
Contreras-Garcia - A new model for reference densities (Amphi Friedel) - Julia Contreras-Garcia |
|
|
16:50 - 17:10
|
Gonzalez-Navarrete - Curly Arrows, Electron Flow and Reaction Mechanisms from the Perspective of the Bonding Evolution Theory (Amphi Moissan) - Patricio Gonzalez-Navarrete |
|
|
17:10 - 17:30
|
Frison - Décrire la structure électronique de radicaux obtenus après réduction; un challenge pour la DFT (Amphi Friedel) - Gilles Frison |
|
|
17:10 - 17:30
|
Miscione - A Combined Computational-Experimental Study of the Intramolecular Oxa-Michael Reaction on α,β-dehydroamino Acid Esters (Amphi Moissan) - Gian Pietro Miscione |
|
|
18:00 - 20:00
|
Session Affiches (Hall, Couloir ENSCP) |
|
