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Due to the current situation (see university announcement) with the COVID-19 virus all teaching activities with physical presence are temporarily cancelled until 30.06.2020 or until further notice.

Faculty Lectures

All those talks start at 16.00 in Joseph Loschmidt Hörsaal, Währinger Straße 42, 1090 Wien.

Upcoming talks:

Past talks:

DateNameTitle
09.03.2020Prof. Tuomas Knowles, Department of Chemistry, University of Cambridge, UKKinetics of protein aggregation

Group Seminar Talks (442714 SE Quantum chemistry and chemical dynamics)

These talks take place Wednesdays at 11:00h (exceptions indicated) held as a virtual meeting by ZOOM. If you are registered you should have received an email with instructions.

Journal Club (442703 SE Journal Club Theoretical and Computational Chemistry)

These talks will take place Mondays at 10:45h held as a virtual meeting by ZOOM. If you are registered you should have received an email with instructions.

Past talks:

DateTypeNameTitle
29.06.2020JCBoris MaryasinHow to Conceptualize Catalytic Cycles? The Energetic Span Model
24.06.2020SciSeDanial GalehdariApplications of green chemistry in nanotechnology and Nanoparticles synthesis
24.06.2020SciSeJulia WestermayrFrom Virtual Properties to Diabats with SchNarc
22.06.2020JCPedro Sánchez-MurciaExploration and Evaluation of Machine Learning-Based Models for Predicting Enzymatic Reactions
17.06.2020SciSeNadja SingerFluorescence turn-on effect of a fluorescein-gabazine conjugate probe upon binding to the GABA-A receptor
15.06.2020JCMoritz HeindlCan we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?
10.06.2020SciSeJin WenSolvation Effect on a Light-Driven Molecular Motor by Nonadiabatic Dynamics Simulations
08.06.2020JCDavide AvaglianoTracking the Ultraviolet Photochemistry of Thiophenone During and Beyond the Initial Ultrafast Ring Opening
03.06.2020SciSeDóra VörösDiving into the excited-state mechanism of ortho-Nitrobenzaldehyde
03.06.2020SciSeRichard JacobiInvestigation of Aromaticity using Nuclear Independent Chemical Shifts (NICS)
27.05.2020SciSeMoritz HeindlA tale of Electrons and Ruthenium
25.05.2020JCNadja SingerThe mechanism of a high-affinity allosteric inhibitor of the serotonin transporter
20.05.2020SciSeLudwig SchwiedrzikPeroXomutations 2: Mechanisms United
18.05.2020JCDavid Hernández-CastilloQuality Threshold Clustering of Molecular Dynamics: A Word of Caution
13.05.2020SciSeAnna WernbacherRuthenium Water Oxidation Catalysts: Influence of the pH on the Spectroscopic Properties
13.05.2020SciSeDavid Hernández-CastilloRuthenium catalysts for water oxidation: tracking down the origins of their relative performance
11.05.2020JCPhilipp MarquetandSimulation of Excitation by Sunlight in Mixed Quantum-Classical Dynamics
06.05.2020SciSeLeon FreitagComputational study of Pt(IV) complexes for photoactivated anticancer chemotherapy
05.05.2020JCLudwig SchwiedrzikOrganoboron-Functionalization Enables the Hierarchical Assembly of Giant Polyoxometalate Nanocapsules
29.04.2020SciSeThomas KnollExcited state dynamics of luminescent V(III) complex
29.04.2020SciSePatrick ZobelLVC Dynamics of Iron Complexes
28.04.2020JCMarkus OppelShells and snakes in their natural environment
23.04.2020SciSeDavide AvaglianoFrom bind to bind: Quinolizidine-Spiropyran isomerization and G-quadruplex binding
11.03.2020SciSeDavide AvaglianoFacing Adolescence: Story of a Teenage Spiro
10.03.2020OLeticia GonzálezOrganizational Matters