08u00-08u45: Registration
08u45-09u: Welcome
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Welcome address by F. De Proft |
Morning session I (Chair : )
09u-09u45: K. Ruud
(University of Tromsø, Norway ) -
" Towards Nonlinear Optical and Vibrational Properties for Large Molecules"
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Morning session II (Chair : )
|
9u455-10u10:
R. Carion (University of Namur) -
" Modeling of the Magnetic Currents and Shieldings in Formal Aromatic and Antiaromatic Open-shell Systems "
10u10-10u35:
M. Huzak (University of Hasselt)
" Half-Metallicity of Graphene Nanoflakes: a New Quantum Mechanical Eldorado for Nanotechnologies ... or a Hype for Materials Scientists? "
10u35-11u05: Coffee break and poster session
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Morning session III (
Chair : )
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11u05-11u30:
S. Vancoillie (Katholieke Universiteit Leuven) -
" Challenges for Restricted Multiconfigurational Perturbation Theory "
11u30-11u55:
F. Remacle (Université de Liège )
" Control of Ultrafast Electron Dynamics in Molecular Systems : From LiH to ABCU (C 10 H 19 N) "
11u55-12u20:
S. Wouters (Center for Molecular Modeling, Ghent University)
" Matrix Product States and Their Uses in Quantum Chemistry "
12h20-14h: Lunch and poster session |
Afternoon session I (
Chair : )
14u-14u45:
G. Frenking (Philipps-Universität Marburg, Germany )
" Main Group Complexes With Unusual Bonds - Interplay of Theory and Experiment "
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Afternoon session II (
Chair : )
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14u45-15u10:
B. Pinter (Vrije Universiteit Brussel
)
" On the Steric Effect "
15u10-15u35:
S. Van Damme (Quantum Chemistry Group, Ghent University
)
" New developments in Hirshfeld-I atoms in molecules "
15u35-16u: D. Geldof (University of Antwerp
)
" An extension of the Hirshfeld Method to Open Shell Systems using Fractional Occupations "
16u-16u30: Coffee break and poster session |
Afternoon session III (
Chair : )
| 16u30-16u55:
T. Van Regemorter (Université de Mons )
" Tuning the Electronic Structure of the ZnO Surface "
16u55-17u20:
E. Cauët (Université Libre de Bruxelles )
"
Density Functional Theory Study of Photoinduced Electron Transfer between Polyazaaromatic Complexes and Biomolecules"
17h20-17h45: T. Vergote (Université Catholique de Louvain)
“ Mechanistic Study of Catalytic Copper-diaminocarbene (NHC) Systems combining Ab Initio and Experimental Techniques”
17u45: Closing remarks: P. Geerlings
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