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Lectures of guests since 2006





13. 02. 2006

Dr. Arnim Hellweg
Ruhr-Universität Bochum

Eine parallele Implementierung von RI-MP2 und RI-CC2


15. 02. 2006

Prof. Luis Montero
Universität La Habana

BSSE or The risk of calculating geoetries and energies with popular computational procedures

RUB NC 4/174

17. 02. 2006

Prof. Samual A. Abrash
University of Richmond

Photochemistry of Weakly Bond Complexes in Cryogenic Matrixes

RUB NC 4/174

23. 02. 2006

Dr. Pawel Rodziewicz
University of Leiden

Blue-shifted hydrogen bonds

RUB NC 03/399

02. 03. 2006

Dr. Iann Gerber
University  Nancy I

Density functional description of van der Waals forces with explicit long-range interactions

Duisburg-Essen, S05 R01 H18

14. 04. 2006

Dr. Jörg Grunenberg
TU Braunschweig

Compliance Matrizen zur Berechnung von Wechselwir-kungsstärken in der Chemie

RUB NC 3/99

07. 06. 2006

Prof. Giovanni Ciccotti
Universität Rom

Quantum-classical statistical dynamics with trajectories

RUB NC 03/399

12. 06. 2006

Prof. Gautram R. Desiraju
University of Hyderabad

Structural basis for shearing and bending of organic crystals

RUB NC 3/99

28. 06. 2006

Prof. Rodolphe Vuilleumier
Universität Pierre et  Marie Curie Paris

Vibrational spectroscopy at finite temperature from ab initio Molecular Dynamics simulations

RUB NC 03/399

12. 07. 2006

Prof. Jordi Boronat
Universitat Politecnica de Catalyna, Spanien

Higher-order actions for path integral Monte Carlo simulations

RUB NC 03/399

31. 07. 2006

Prof. Sotiris Xantheas
Richland, USA

Intermolecular interactions in water:
Development of new models in applications to water clusters, clathrate hydrates, liquid water and ice

RUB NC 3/99

06. 11. 2006

Prof. Peter Hamm
Universität Zürich

Towards a molecular movie: Transient 2D-IR spectroscopy of beta-turn opening


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
Osaka University

The Chemistry of 1,2-Diradicals: Spin Control and Reactivity

RUB NC 02/99

08. 02. 2007

Dr. V. R. Pedireddi
Pune, Indien

Supramolecular Synthesis: A New Dimension in Organic Chemistry

RUB NC 5/99

19. 02. 2007

Prof. Douglas C. Neckers
Bowling Green State University

Light Induces Chemical Change

RUB NC 5/99

21. 02. 2007

Dr. William Jones
University of Cambridge

Cocrystals and the Study of Intermolecular Interactions

Duisburg-Essen, RO9 T00

12. 04. 2007

Prof. Bernd Engels
Universität Würzburg

Intermolekulare Wechselwirkungen in Grund- und angeregten Zuständen

RUB NC 6/99

07. 05. 2007

Prof. Martin Suhm
Universität Göttingen

Chiral recognition and other inter-
Molecular contacts in the gas phase

RUB NC 5/99

08. 05. 2007

Dr. Phineus Markwick
Institut Pasteur, Paris

Something fast, something slow: Using
State-of-the-art molecular dynamics simulation to study diverse dynamic processes in bio-molecular systems

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
University of Illinois

Dynamics of quantum fluids: path integral and semi classical methods

RUB NC 5/99

05. 07. 2007

Dr. Thomas Taubner
Stanford University

Infrared microscopy on the nanoscale:
From vibrational spectroscopy to superlensing

RUB NC 3/99


11. 07. 2007

Dr. Alesassandro Laio
SISSA Trieste

Recent developments of metadynamics

RUB NC 03/399

12. 10. 2007

Prof. Nils Metzler-Nolte
Ruhr-Universität Bochum

Chirality organization in disubstituted chiral metallocenes


07. 11. 2007

Prof. Christoph Dellago
Universität Wien

Transition path sampling simulations of phase transitions

RUB NC 03/399

30. 11. 2007

Prof. Karl-Michael Weitzel
Universität Marburg

Reaktive Prozesse von Ionen –
Anwendungen in Analytik und Plasma-

RUB NC 6/99

05. 12. 2007

Dr. Rajib Mondal
Bowling Green State University

Mechanism of the photobis-decarbonylation bridged alpha-diketones

RUB NC 4/174

14. 01.2008

Dr. Pankaj Kanti Mandal
Kansas State University

Plasmon-phonon coupling in charged CdSe quantum dots

RUB NC 6/99

16. 04. 2008

Prof. Dr. Stefan Grimme
Universität Bonn

Non-local Electron Correlation Effects and Non-covalent Interactions in Large

RUB NC 03/399

30. 05. 2008

PD Dr. Roland Wester
Universität Freiburg

Billard mit Ionen: die nukleophile Substition

RUB NC 6/99

16. 06. 2008

Prof. Dr. Birenda P. Asthana
Banaras Hindu University

Probing non-covalent molecular association in chemical systems and nanomaterials via Raman line shape analysis

RUB NC 5/99


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
Université Montpellier

Iterative Methods in Quantum Mechanics
(mehrteiliger Kurs für Mitarbeiter)

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