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August 20
2-3 pm: Welcome and registration
Afternoon session (chair: Mohamed Souhassou)
3-3:30 pm: Introduction: connection between charge, spin (and momentum densities): a tribute to Prof. Robert F. Stewart.
M. Souhassou (Université de Lorraine, France)
3:30-4:30 pm: X-ray diffraction: data collection and data reduction for charge density determination.
J. Overgaard (University of Aarhus, Denmark)REMOTE
4:30-5 pm: Coffee break
5-6:30 pm: Multipolar modeling of the charge density using high-resolution X ray diffraction.
P. Dominiak (University of Varsaw, Poland)
Evening session: Get together
8-10 pm: Sponsor presentations, poster session, discussions
August 21
Morning session (chair: Florence Porcher)
9-10 am: Topological analysis of charge densities.
E. Espinosa (Université de Lorraine, France)
10-10:30 am: Joint refinement: complementarity in diffraction experiments : Mollynx-mult, a multipolar approach.
M. Souhassou (Université de Lorraine, France)
10:30-11:30 am: Spin density topology.
C. Gatti (CNR, Italy)REMOTE
11:30-12 am: Coffee break
12-13 am: Electrostatic properties from the multipole model.
B. Guillot (Université de Lorraine, France)
Afternoon session (chair: Claude Lecomte)
2-3 pm: Polarization and surface charges in molecular crystals.
P. Macchi (Politecnico di Milano, Italy)
3-3:30 pm: Introduction to XD.
P. Macchi (Politecnico di Milano, Italy)
3:30-4 pm: Introduction to Mopro.
B. Guillot (Université de Lorraine, France)
4-4:30 pm: Coffee break
4:30-6:30 pm: Tutorials on Mopro, XD and Mollynx (2 groups), including coffee break.
B. Guillot, P. Macchi, M. Souhassou, M. Deutsch, C. Jelsch and N. Claiser
August 22
Morning session (chair: Nicolas Claiser)
9-10 am: Basic of neutron diffraction and polarized neutron diffraction.
F. Porcher (LLB-CEA Saclay, France)
10-11 am: Experimental determination of magnetic tensors.
I. Kibalin (LLB-CEA Saclay, France)
11-11:30 am: Coffee break
11:30-12:30 am: State of the Art and Perspectives in the Search for Experimentally Constrained Wavefunctions..
A. Genoni (Université de Lorraine, France)
12:30-13 am: Joint refinement: complementarity in diffraction experiments: an orbital approach Mollynx-orb.
M. Souhassou (Université de Lorraine, France)
Afternoon session
2-4:30 pm: Tutorials on Mopro, XD and Mollynx (2 groups), including coffee break.
B. Guillot, P. Macchi, M. Souhassou, M. Deutsch, C. Jelsch and N. Claiser
4:30-4:50 pm: Commercial presentation: DECTRIS
M. Mueller (Product Manager OEM - DECTRIS Ltd.)
4:50-5:40 pm: Round table & coffee: Future in charge densities.
D. Luneau (Universite Claude Bernard, Lyon 1, France)
5:40-6 pm: Conclusion and evaluation of the school.
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