Sunday July 8th Evening session | Charge density under extreme conditions |
Discussion leader: H. Graafsma (ESRF, Europe)
P. Coppens (Buffalo, USA)
Beyond ground state analysis of molecular structure: Is there
hope for excited-state X-ray charge density analysis?
A. Katrusiak (Poznan, Poland)
Toward high-pressure determinations of electron density in
crystals
Monday July 9th Morning session | Modeling X-ray data |
Discussion leader: P. Becker (Paris, France)
D. Jayatilaka (Nedlands, Australia)
Experimental wavefunctions
R. Papoular (Saclay, France)
Can MEM provide Accurate Charge Densities? The Corundum
limit case
R.F. Stewart (Pittsburgh, USA)
Past, present and future applications of generalized X-ray
scattering factors
Monday Evening session | New developments in topological analysis |
Discussion leader: C. Gatti (Milano, Italy)
R. Bader (Hamilton, Canada)
Things one can do with the electron density
B. Silvi (Paris, France)
The topological theory of chemical bonding: a mathematical
model of the Lewis theory
Tuesday July 10th Morning session | X-ray and electron diffraction: are they complementary? |
Discussion leader: J. Schneider (Hamburg, Germany)
J.M. Zuo (Illinois, USA)
Combining electron and X-ray diffraction for accurate
determination of charge densities: the case of cuprite
K. Tsuda (Sendaï, Japan)
Refinement of crystal structural parameters and charge density
using convergent-beam electron diffraction
T. Lippmann (Germany)
Charge density analysis of cuprite using high-energy
synchrotron radiation data
Tuesday Evening session | Electron density studies on proteins |
Discussion leader: R.H. Blessing (Buffalo, USA)
A. Joachimiak (APS, USA)
Strategies for atomic resolution data collection
at structural Biology Center 19 ID beamline
N. Muzet (Nancy, France)
Aldose reductase complex: ultra-high resolution density
analysis and theoretical studies
Wednesday July 11th Morning session | Magnetic molecular materials |
Discussion leader: Yu Wang (Taïwan)
D. Gatteschi (Florence, Italy)
Molecular (Nano)magnets
S. Pillet (Buffalo, USA)
Topological analysis of the electron density: an efficient tool to
investigate interaction pathways in molecular magnetic
compounds
A. Scholl (USA)
Applications of magnetic dichroism spectro-microscopy in
nano-science
Wednesday Evening session | Complementary method: DAFS |
Discussion leader: Wolfgang JAUCH (Germany)
J.L. Hodeau (Grenoble, France)
Resonant diffraction and diffraction anomalous fine structure
Thursday July 12th Morning session | Intermolecular interactions |
Discussion leader: S. Larsen (Copenhagen, Denmark)
G. Gilli (Ferrara, Italy)
Towards a comprehensive understanding of hydrogen bond
phenomena
J. Gao (Minnesota, USA)
Energy decomposition analysis of polarization and charge
transfer in intermolecular interactions
E. Molins (Barcelone, Spain)
From the topology of the electron density to the physical
properties
P. Popelier (Manchester, United-Kingdom)
Topological atoms: electrostatic potential, Coulomb and
electrostatic interaction
Thursday Evening session | Theoretical developments |
Discussion leader: K.H. Schwarz (Wien, Austria)
P. Mezey (Saskatchewan, Canada)
The Holographic Electron Density Theorem and latent
molecular properties
P. Geerlings (Brussels, Belgique)
Conceptual DFT as a tool for studying electron density
distributions and chemical reactivity
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