Program Molecular Electrostatic Potentials9h15: Registration
9h45: Opening
Morning session I
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10h00-10h40: Shridar Gadre (IIT Kanpur-India) "Molecular Electrostatic Potentials: A Topographical Viewpoint"10h40-11h15: Wouter Herrebout (University of Antwerp-Belgium) "Using electrostatic surface potentials to reveal and study weak noncovalent interactions and their competition" |
11h15-11h50: Coffee Break
Morning session II
11h50-12h25: Christophe Morrell (Université Claude Bernard Lyon-France) "Dual descriptor and molecular electrostatic potential: complementary tools for studying regioselectivity"12h25-13h00: Frederik Tielens (Université Pierre et Marie Curie, France) "Electron Density Based Reactivity Descriptors in the Study of Complex Materials" |
13h00-14h15: Lunch (VUB-restaurant)
Afternoon session
14h30-15h05: Paul Popelier (University of Manchester – UK) "Quantum Chemical Topology (QCT): towards a novel protein force field with polarisable multipolar electrostatics"15h05-15h40: Sofie Van Damme (University of Ghent-Belgium) "How to calculate the Electrostatic Potential for systems with (quasi-) Degenerate Ground States"15h40-16h15: Toon Verstraelen (University of Ghent-Belgium) "Modeling Electrostatic Penetration Effects with Atoms in Molecules" |
16h15: Concluding remarks
Frank De Proft (VUB-Belgium)
16h30: Reception
Download the program here
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