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Excellence Initiative



Tuesday, 16:00 Seminar Room S 8.109

Dr. Robert Izsak
Max-Planck Institute for Chemical Energy Conversion, Mülheim
Wave Function Methods for Excited States and Spectroscopic Applications

Andreas Löhle
Institute for Theoretical Chemistry, University of Stuttgart
Calculation of reaction rate constants via instanton theory in the canonical and microcanonical ensemble

Prof. Dr. Liviu Chibotaru
Chemistry Department, KU Leuven (NL)
Ab initio calculation of anisotropic magnetic properties of complexes

Dr. Albert Rimola
Universitat Autonoma de Barcelona (E)
Surface-induced chemical evolution in space. Perspectives from quantum chemical calculations

Dr. Ralph Welsch
Center for Free-Electron Laser Science, Universität Hamburg
New methodologies for simulating quantum dynamics in complex chemical systems

Prof. Dr. Jeremy Richardson
Department of Chemistry and Applied Biosciences, ETH Zürich (CH)
Quantum Tunnelling in Molecular Systems from First Principles

Dr. Sergey Yurchenko
Department of Physics and Astronomy, University College London (GB)
Computing molecular line lists for atmospheric characterization of hot exoplanets: a combination of ab initio and empirical methods

At the SFB716-Colloquium (Allmandring 3; Room 1.079)
Dr. Sebastián Miranda
Universidad Andrés Bello, Santiago, Chile
Theoretical Insights into the enzymatic reaction mechanisms of dehydratases and dehalogenases

Prof. Dr. Peter Schwerdtfeger
Centre for Theoretical Chemistry and Physics, Massey University Auckland (NZ)
Close packing of rare gases: Lattice sums and Epstein zeta functions

Dr. K.R. Shamasundar
Department of Chemical Sciences, Indian Institute of Science Education and Research Mohali, Punjab, India.
Theory of non-adiabatic couplings from excited state coupled-cluster methods and structure of intersection seams of a simple one-electron system

2pm in the room 4.361
Philip Russ
Bachelor presentation (in the group of Prof. Kästner).
Formation and destruction of the interstellar relevant molecule methylformate via radical-neutral reactions

2pm in the room 4.361
Johannes Karwounopoulos
Bachelor presentation (in the group of Prof. Kästner).
Activation of lactones with metal halides in a cooperative polymerisation

1pm in the room 4.361
Florian Peter
Presentation (group of Prof. Kästner).
Muonium Tunnelling in Addition Reactions studied with the Dual-level Instanton Method