| Rafal BACHORZ | Karlsruhe University, Karlsruhe, Germany |
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The RI-MP2-R12 method in Turbomole. Theory and applications.
(20 minutes)
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| Mario BARBATTI | Institute for Theoretical Chemistry, Vienna, Austria |
|
Nonadiabatic molecular dynamics applied to photochemistry investigations:
a model for the deactivation of adenine. (20 minutes)
|
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| Ewa BROCLAWIK | Institute of Catalysis PAS, Cracow, Poland |
|
Iron heme sites in cytochromes - challenges for quantum chemistry
(30 minutes)
|
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| Onderj DEMEL | J. Heyrovsky Institute of Physical Chemistry, Prague, Czech Republic |
|
Multireference Brillouin-Wigner Coupled Clusters Method with
Connected Triple Excitations. (30 minutes)
|
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| Wolfgang DOMCKE | Technical University of Munich, Garching, Germany |
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Nonadiabatic Dynamics of Hydrogen Bonds in Biological Molecules.
(40 minutes)
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| Michaela FLOCK | Graz University of Technology, Graz, Austria |
|
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The fine line between adduct formation and addition reaction - donor
groups interacting with disilenes. (30 minutes)
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| Trygve HELGAKER | University of Oslo, Oslo, Norway |
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Self-consistent field methods for large molecular systems. (30 minutes)
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| Philip HOGGAN | University of Clermont 2, Aubier, France |
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Explicitly correlated Sturmian basis sets: applications
to Quantum Monte Carlo simulations. (20 minutes)
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| Filip HOLKA | Comenius University, Bratislava, Slovakia |
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Hartree-Fock stability and symmetry broken solutions of
systems in external confinement. (20 minutes)
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| Michal ILCIN | Slovak University of Technology, Bratislava, Slovakia |
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On the structure and physical origin of van der Waals interaction
in zinc, cadmium and mercury dimers. (20 minutes)
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| Miroslav ILIAS | University of Zilina, Prievidza, Slovakia |
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Improvement of the Barysz-Sadlej-Snijders two-component Hamiltonian
by the mean-field spin-orbit screening. (30 minutes)
|
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| Karol JANKOWSKI | Nicholaus Copernicus University, Torun, Poland |
|
Ab initio asymptotic-expansion coefficients for pair energies
in MP2 perturbation theory. (30 minutes)
|
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| Mihaly KALLAY | Budapest University of Technology and Economics, Budapest, Hungary |
|
Accurate calculation of molecular equilibrium geometries. (30 minutes)
|
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| Rene KALUS | University of Ostrava, Ostrava, Czech Republic |
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Modelling of rare-gas cluster cations: ab initio calculations,
excited states, and dynamics of fragmentation. (30 minutes)
|
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| Dariusz KEDZIERA | Nicholaus Copernicus University, Torun, Poland |
|
New method of solving IOTC equations. (20 minutes)
|
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| Jacek KOMASA | Adam Mickiewicz University, Poznan, Poland |
|
High accuracy calculations on small atoms and molecules including
relativistic and QED effects. (30 minutes)
|
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| Hans LISCHKA | University of Vienna, Vienna, Austria |
|
Ab initio nonadiabatic photodynamics: from the C=C bond to retinal
models and the photostability of DNA bases. (40 minutes)
|
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| Artur MICHALAK | Jagiellonian University, Crakow, Poland |
|
Theoretical studies on the mechanisms of the polymer branching in the
polymerization and copolymerization processes catalyzed by late-transition
metal complexes. (30 minutes)
|
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| Imre PAPAI | Chemical Research Center of HAS, Budapest, Hungary |
|
Theoretical mechanistic studies and catalyst design. (30 minutes)
|
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| Zoltan ROLIK | Eotvos University, Budapest, Hungary |
|
A sparse vector based Full-CI algorithm. (20 minutes)
|
|
| Joachim SAUER | Humboldt University, Berlin, Germany |
|
Treating Dispersion Effects in Extended Systems by
Hybrid MP2:DFT calculations: Hydrocarbons on Catalyst Surfaces. (40 minutes)
|
|
| Armin SCRINZI | Vienna University of Technology, Vienna, Austria |
|
The Multi-Configuration Time-Dependent Hartree-Fock
method for strongly driven few electron wave packets. (30 minutes)
|
|
| Stepan SKLENAK | J. Heyrovsky Institute of Physical Chemistry, Prague, Czech Republic |
|
QMPOT calculations of Al local geometry and NMR shift in Si rich zeolites. (20 minutes)
|
|
| Petr SLAVICEK | Prague Institute of Chemical Technology, Prague, Czech Republic |
|
Photochemical mechanisms from ab initio quantum molecular dynamics:
hopes and limitations (20 minutes)
|
|
| Agnes SZABADOS | Eotvos University, Budapest, Hungary |
|
Theoretical interpretation of Grimme's spin-component-scaled Moller-Plesset approach.
|
|
| Krzysztof SZALEWICZ | University of Delaware, Newark, USA |
|
Perturbation theory of intermolecular forces based on density functional
description of monomers. (30 minutes)
|
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| Jan URBAN | Comenius University, Bratislava, Slovakia |
|
Theoretical Treatment of Dissociative Electron Attachment. (30 minutes)
|
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| Hans-Joachim WERNER | University of Stuttgart, Stuttgart, Germany |
|
Recent advances in explicitly correlated local correlation methods.
(30 minutes)
|
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| Malgorzata WITKO | Institute of Catalysis and Surface Chemistry PAS, Crakow, Poland |
|
Can quantum chemistry be used as a tool to tailor a catalyst with
particular properties? (30 minutes)
|
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| Piotr ZUCHOWSKI | University of Warsaw, Warsaw, Poland |
|
Recent advances in perturbation theory of intermolecular forces
for van der Waals complexes containing open-shell monomers. (20 minutes)
|