Gastvorträge der Forschergruppe seit 2006
Datum |
Name |
Titel |
Ort |
13. 02. 2006 |
Dr. Arnim Hellweg |
Eine parallele Implementierung von RI-MP2 und RI-CC2 |
IBZ |
15. 02. 2006 |
Prof. Luis Montero |
BSSE or The risk of calculating geoetries and energies with popular computational procedures |
RUB NC 4/174 |
17. 02. 2006 |
Prof. Samual A. Abrash |
Photochemistry of Weakly Bond Complexes in Cryogenic Matrixes |
RUB NC 4/174 |
23. 02. 2006 |
Dr. Pawel Rodziewicz |
Blue-shifted hydrogen bonds |
RUB NC 03/399 |
02. 03. 2006 |
Dr. Iann Gerber |
Density functional description of van der Waals forces with explicit long-range interactions |
Duisburg-Essen, S05 R01 H18 |
14. 04. 2006 |
Dr. Jörg Grunenberg |
Compliance Matrizen zur Berechnung von Wechselwir-kungsstärken in der Chemie |
RUB NC 3/99 |
07. 06. 2006 |
Prof. Giovanni Ciccotti |
Quantum-classical statistical dynamics with trajectories |
RUB NC 03/399 |
12. 06. 2006 |
Prof. Gautram R. Desiraju |
Structural basis for shearing and bending of organic crystals |
RUB NC 3/99 |
28. 06. 2006 |
Prof. Rodolphe Vuilleumier |
Vibrational spectroscopy at finite temperature from ab initio Molecular Dynamics simulations |
RUB NC 03/399 |
12. 07. 2006 |
Prof. Jordi Boronat |
Higher-order actions for path integral Monte Carlo simulations |
RUB NC 03/399 |
31. 07. 2006 |
Prof. Sotiris Xantheas |
Intermolecular interactions in water: |
RUB NC 3/99 |
06. 11. 2006 |
Prof. Peter Hamm |
Towards a molecular movie: Transient 2D-IR spectroscopy of beta-turn opening |
IBZ |
24. 11. 2006 |
Prof. Wolfgang Ernst |
Atomic and molecular beams: from matter wave optics to cluster spectroscopy |
RUB NC 6/99 |
29. 11. 2006 |
Prof. Erik T. J. Nibbering, Max-Born-Institut für Nichtlineare Optik und Kurzzeitsspektroskopie, Berlin |
Proton transfer dynamics in hydrogen bonded systems |
RUB NC 03/399 |
24. 01. 2007 |
Prof. Manabu Abe |
The Chemistry of 1,2-Diradicals: Spin Control and Reactivity |
RUB NC 02/99 |
08. 02. 2007 |
Dr. V. R. Pedireddi |
Supramolecular Synthesis: A New Dimension in Organic Chemistry |
RUB NC 5/99 |
19. 02. 2007 |
Prof. Douglas C. Neckers |
Light Induces Chemical Change |
RUB NC 5/99 |
21. 02. 2007 |
Dr. William Jones |
Cocrystals and the Study of Intermolecular Interactions |
Duisburg-Essen, RO9 T00 |
12. 04. 2007 |
Prof. Bernd Engels |
Intermolekulare Wechselwirkungen in Grund- und angeregten Zuständen |
RUB NC 6/99 |
07. 05. 2007 |
Prof. Martin Suhm |
Chiral recognition and other inter- |
RUB NC 5/99 |
08. 05. 2007 |
Dr. Phineus Markwick |
Something fast, something slow: Using |
RUB NC 03/399 |
16. 05. 2007 |
Dr. Dusanka Janezic, National Institute of Chemistry, Ljubljana |
Computing infrared spectra for complex molecular systems |
RUB NC 03/399 |
22. 06. 2007 |
Prof. Nancy Makri |
Dynamics of quantum fluids: path integral and semi classical methods |
RUB NC 5/99 |
05. 07. 2007 |
Dr. Thomas Taubner |
Infrared microscopy on the nanoscale: |
RUB NC 3/99
|
11. 07. 2007 |
Dr. Alesassandro Laio |
Recent developments of metadynamics |
RUB NC 03/399 |
12. 10. 2007 |
Prof. Nils Metzler-Nolte |
Chirality organization in disubstituted chiral metallocenes |
IBZ |
07. 11. 2007 |
Prof. Christoph Dellago |
Transition path sampling simulations of phase transitions |
RUB NC 03/399 |
30. 11. 2007 |
Prof. Karl-Michael Weitzel |
Reaktive Prozesse von Ionen – |
RUB NC 6/99 |
05. 12. 2007 |
Dr. Rajib Mondal |
Mechanism of the photobis-decarbonylation bridged alpha-diketones |
RUB NC 4/174 |
14. 01.2008 |
Dr. Pankaj Kanti Mandal |
Plasmon-phonon coupling in charged CdSe quantum dots |
RUB NC 6/99 |
16. 04. 2008 |
Prof. Dr. Stefan Grimme |
Non-local Electron Correlation Effects and Non-covalent Interactions in Large |
RUB NC 03/399 |
30. 05. 2008 |
PD Dr. Roland Wester |
Billard mit Ionen: die nukleophile Substition |
RUB NC 6/99 |
16. 06. 2008 |
Prof. Dr. Birenda P. Asthana |
Probing non-covalent molecular association in chemical systems and nanomaterials via Raman line shape analysis |
RUB NC 5/99 |
18.06.2008 |
Dr. Andreas Glöß, Lehrstuhl Theoretische Chemie, Institut für Physikalische Chemie, Universität Karlsruhe |
Efficient implementation of the MP2-R12 method for applications to large |
RUB NC 03/399 |
5 Termine in 10. 08 |
Prof. Dr. Claude Leforestier |
Iterative Methods in Quantum Mechanics |
Duisburg-Essen, S05 V06 E04 |
14. 01. 09 |
Prof. Kendall N. Houk, University of California, Los Angeles (UCLA) |
Design of organo-catalysts and enzymes |
Duisburg-Essen, S07 S00 D07 |
09. 02. 09 |
Prof. Dr. Ingo Fischer, Universität Würzburg, Inst. f. Phys. Chemie |
Spectroscopy of p-conjugated molecules |
RUB NC 6/99 |
05. 01.09 |
Dr. Christian Müller Phys.Chem.Dep., Purdue Uni. USA |
Duschinsky mixing, internal mixing and conformaitonal isoermization with low-energy barriers in three flexible molecules |
RUB NC 6/99 |
23. 03. 09 |
Rocio Rebollido-Rios, Havana |
Flavonoids as signalling molecules: a theoretical approach to the mechanism of action |
Duisburg-Essen, S07 S02 D48 |
14. 05. 09 |
Dr. Martin Weik, ESRF, Grenoble, France |
Coupling between hydration-water and protein dynamics |
RUB NC 6/99 |
18. + 19. 05. 09 |
Prof. Dr. Thomas Dittrich, Kolumbien |
Miniworkshop“Semiclassical Methods for ab-initio Molecular Dynamics Simulations“ |
RUB NC 03/399 |
20. 05. 09 |
Johannes Kästner, Uni Stuttgart |
Biochemical Simulations using QQM/MM Techniques |
RUB NC 03/399 |
10. 06. 09 |
Daniel Borgis, Laboratory for Analysis and Modelling for Biology and Environment, University of Evry- Val d’Essonne, Evry |
Coarse-graining proteins and water for protein-protein interactions |
RUB NC 03/399 |
17. 06. 09 |
Sara Bonella, Department of Physics, University of Rome |
Trajectory based simulations of mixed quantum-classical time correlations functions |
RUB NC 03/399 |
29. 09. 09 |
Prof. Jim Lisy, Department of Chemistry, University of Ilinois at Urbana-Champaign |
Non-Covalent Intermolecular Interactions: Competition, Balance and Size-Selectivity in Cluster Ions |
RUB NC 6/99 |
07. 10. 09 |
Dr. Adem Tekin, Department of Physics, Technical University of Denmark, Lyngby |
Crystal structure predictions for hydrogen storage materials, ammonia dyncamics in magnesiums ammine and catalytic ammonia decomposition |
Duisburg-Essen, S05 V06 E04 |
08. 10. 09 |
Dr. Sylvie Roke |
Surprisingly small effect of surfactants on the interfacial tension of small oil droplets in water |
RUB NC 6/99 |
04. 02. 10 |
Prof. Dr. Karina Morgenstern Institut für Festkörperphysik Leibniz Universität Hannover |
Structure determines dynamics: Water/Cu(111) and azobenzene > derivatives/Au(111) |
RUB NC 6/99 |
12. 02. 10 |
Prof. Enzo di Fabrizio Bionem Group, Magna Græcia University of Catanzaro |
Single molecule detection by advanced biophotonic devices |
RUB NC 6/99 |
10. 02. 10 |
Prof. Leo Meerts Radboud University, Nijmegen |
Automated assignment of High Resolution spectra: From NMR in UV Spectroscopy |
Veranstaltungszentrum RUB |
10. 02. 10 |
Prof. Dr. Carsten Schmuck |
Dimerisierende Zwitterionen: Modellsysteme zum Studium nicht-kovalenter Wechselwirkungen |
Veranstaltungszentrum RUB |
19. 05. 10 |
Prof. Dr.Igor Alabugin Florida State University |
Surprises in alkyne and and enediyne chemistry: new cyclizations, cycloadditions, cycloaromatizatiosns, and cyclorearomatizations |
RUB NC 4/174 |
19. 11. 10 |
Dr. Sugumar Venkataramani Universität Kiel |
Photomagnetic switching in nickel porphyrin system - A record player molecule |
RUB NC 4/174 |
09. 12. 10 |
Dr. Lukasz Rajchel Quantum Chemistry Laborytory University of Warsaw, Poland |
A DFT Approch to Van der Waals Complexes via Interacting Monomer Densities |
Duisburg-Essen, S05 V06 E 04 |
08. 02. 11 |
Dr. Lukasz Rajchel Quantum Chemistry Laborytory University of Warsaw, Poland |
A DFT Approch to Van der Waals Complexes via Interacting Monomer Densities |
Duisburg-Essen, S05 V06 E 04 |
08. 02. 11 |
Dr. Janos G. Angyan CNRS, University Nancy I |
Modeling Van der Waals ineractions in H-bonds |
Veranstaltungszentrum RUB |
08. 02. 11 |
Prof. Oleg V. Shishkin National Academy of Sciences of Ukraine |
Supramolecular architecture of molecular crystals derived from analysis of intermolecular interactions energy |
Veranstaltungszentrum RUB |
08. 02. 11 |
Dr. Detlef W. M. Hofmann CRS4, Parco Scientifico e Tecnologico, POLARIS |
Data driven Molecular Modeling exemplified for Crystal Structure Prediction and Water |
Veranstaltungszentrum RUB |
21. 03. 11 |
Prof. Dr. Ralf Kaiser University of Hawaii |
Unraveling the formation of the organic aerosol layers in Titan’s Atmosphere |
RUB NC 4/174 |