QCCD Group Seminar (Wednesday, 16:30)
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| Date | Name | Topic | |
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14 Mar 2006 | Mario Vazdar | Automerization of Cyclobutadiene and its Substituted Derivatives - An Ab Initio Study of the Barrier Height |
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21 Mar 2006 | Mario Barbatti | On the nonadiabatic deactivation of adenine: the aminopyrimidine model |
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25 Apr 2006 | Werner Jakubetz | Dipole-driven population transfer |
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16 May 2006 | Alejandro López Castillo | Dimensionalities of Weak Solutions in Hydrogenic Systems |
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23 May 2006 | Daniel Tunega | On Hydration of Kaolinite Surfaces |
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07 Jun 2006 (Wednesday) | Gunther Zechmann | The nitty-gritty of explicitly correlated wave functions for the calculation of electric properties |
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13 Jun 2006 | Matthias Ruckenbauer | Photodynamics of the Pentadieniminium-Cation |
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29 Jun 2006 (Thursday) | Adélia Aquino | Interaction of the 2,4-dichlorophenoxyacetic acid herbicide with soil organic matter moieties – a theoretical study |
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12 Jul 2006 (Wednesday) |
Ivana Antol Rudjer Boskovic Institute Zagreb |
Bond-stretch isomers of propellane |
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14 Jul 2006 (Friday) |
Hélio A. Duarte Federal University of Minas Gerais |
Chemical Speciation from Density Functional Calculations |
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17 Jul 2006, 3pm (Monday) |
Ron Shepard Argonne National Laboratory |
Towards Passing the One |
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18 Jul 2006, 3pm (Tuesday) |
Ron Shepard Argonne National Laboratory |
The Subspace Projected Approximate Matrix (SPAM) Iterative Diagonalization Method |
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19 Jul 2006 (Wednesday) |
Attila Tajti Eötvös Lorand University Budapest |
On the evaluation of the non-adiabatic coupling vector with Coupled-Cluster wave functions |
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19 Sep 2006 |
Christoph Marx | STIRAP-like dynamics in extended Λ-systems |
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28 Sep 2006, 3pm |
Sergio | ||
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12 Oct 2006 |
Jaroslaw Szymczak | ||
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16 Nov 2006 |
Mario Barbatti | |
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22 Nov 2006 (Wednesday) |
Gunther Zechmann | Photochemistry of 6-Aminopyrimidine and Thymine |
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29 Nov 2006 (Wednesday) |
Matthias Ruckenbauer |
Gridcomputing What the future has up its sleeve for our brave new world |
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7 Dec 2006 |
Daniel Tunega | Structural, spectroscopic and magnetic properties of MeOOH minerals (Me=Al, Mn, Fe) | |
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13 Dec 2006 (Wednesday) |
Ivelina Georgieva, Bulgarian Academy of Sciences, Sofia | Adsorption of NO on Cobalt-Exchanged Chabazite and Mordenite Zeolites: a DFT study | |
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14 Dec 2006 |
Adélia Aquino | Modeling of the surface of the mineral Goethite |
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20 Dec 2006 |
Gunther Zechmann | Christmas talk: Photochemistry of Fluoroethylene |
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24 Jan 2007 (Wednesday) |
Werner Jakubetz | Pulse Trains | |
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25 Jan 2007
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Alejandro López Castillo | ||
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8 Mar 2007 |
Silvicley Figueira da Silva, Institut für Allgemeine Physik, TU Wien | Charge-exchange processes in collisions of slow ions with atoms and molecules | |
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9 Mar 2007 (Friday) |
Gunther Zechmann | Valediction talk | |
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16 Apr 2007 (Monday) |
Daniel Tunega | Acid-base pProperties of the (110) Goethite Surface: A Theoretical Study |
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17 Apr 2007 (Tuesday) |
Annemarie Kelterer TU Graz |
Title to be announced | |
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23 Apr 2007 (Monday) |
Hasan Pasalic | Comparison of methods to compute the potential of mean force |
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26 Apr 2007 (Thursday) |
Marion Barbatti | Nonadiabatic dynamics of heterocycles: progress report | |
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2 May 2007 (Tuesday) |
Alexander F. Sax Institut für Chemie Karl-Franzens-Universität Graz |
Theoretical description of the growth of films of amorphous silicon in CVD processes | |
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10 May 2007 (Thursday) |
Bernhard Sellner | Photodynamics and Photochemistry of Pyrrole | |
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21 May 2007 (Monday) |
Matthias Ruckenbauer | Talk rescheduled - new date will be announced | |
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14 June 2007 (Thursday) |
Jarek Szymczak | Title to be announced | |
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26 June 2007 (Tuesday) |
Adelia Aquino | Title to be announced | |
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11 October 2007 (Thursday) |
Herbert Georg | Importance of solute polarization for calculating molecular properties | |
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24 October 2007 (Wednesday) |
Bernhard Sellner | Photodynamics of pyrrole starting at a conical intersection | |
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14 November 2007 (Wednesday) |
Werner Jakubetz | Patterns in laser driven tunneling | |
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22 November 2007 (Thursday) |
Ivelina Georgieva | Theoretical Study of Metal - Ligand Interaction in Sm(III), Eu(III) and Tb(III) Complexes of Coumarin-3-Carboxylic Acid in Gas Phase and Solution | |
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6 December 2007 (Thursday) |
Hasan Pasalic | What is the influence of the Ca2+ cation on hydrogen-bonded systems in water and how to calculate the association energy in solution? | |
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13 December 2007 (Thursday) |
Carol Parish University of Richmond, USA |
Molecular Studies of HIV and Anti-Cancer Warhead Drugs |
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10 January 2008 (Thursday) |
Felix Plasser | Bipyridyldiol: Recent Results | |
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17 January 2008 (Thursday) |
Jaroslaw Szymczak | Title to be announced | |
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24 January 2008 (Thursday) |
Bernhard Sellner | Reaction Path - An overview | |
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30 January 2008 (Wednesday) |
Matthias Ruckenbauer | Title to be announced | |
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6 March 2008 (Thursday) |
Andreas Markmann Department of Chemistry, Princeton NJ |
Photoinduced processes in Chemistry, Biology and Electronics |
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13 March 2008 (Thursday) |
Petr Slavicek Prague Institute of Chemical Technology, Czech Republic |
Dynamics of photoinduced reactions: molecules, clusters, droplets |
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19 March 2008 (Wednesday) |
Matthias Ruckenbauer | Title to be announced | |
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26 March 2008 (Wednesday) |
Adelia Aquino | Title to be announced | |
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2 April 2008 (Wednesday) |
Daniel Tunega | Title to be announced | |
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9 April 2008 (Wednesday) |
Kanjarat Sukrat | Title to be announced | |
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23 April 2008 (Wednesday) |
Hasan Pasalic | Complexation Energies of Hydrogen-bonded Systems. A Density Functional and Molecular Mechanics Study | |
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30 April 2008 (Wednesday) |
Jaroslaw Szymczak | Title to be announced | |
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7 May 2008 (Wednesday) |
Bernhard Sellner | Progress report about the ultrafast deactivation of ethylene | |
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14 May 2008 (Wednesday) |
Felix Plasser | Title to be announced | |
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21 May 2008 (Wednesday) |
Mario Barbatti | Title to be announced | |
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28 May 2008 (Wednesday) |
Matthias Ruckenbauer | Title to be announced | |
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4 June 2008 (Wednesday) |
Adelia Aquino | Title to be announced | |
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11 June 2008 (Wednesday) |
Daniel Tunega | Title to be announced | |
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25 June 2008 (Wednesday) |
Hasan Pasalic | Title to be announced | |
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... presentation available for download |
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... picture of the speaker |
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... contains unpublished results and will be put online as soon as the paper has been accepted for publication |
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Tips & Tricks
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| Please note that there's an extensive documentation of the group's batch system available at http://www.univie.ac.at/columbus/shell/ | |||
