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unilogo Universität Stuttgart
Institut für Theoretische Chemie

Kolloquien und Vorträge

Dienstag, 16.00 - 17.30 Uhr, Seminarraum S 8.109


09.10.2012

Prof. Dr. Hannes Jonsson
Department of Chemistry, University of Iceland
Atomic and Molecular Orbitals Revisited - with an ODD Energy Functional

16.10.2012

Prof. Dr. Hai Lin
Chemistry Department, University of Colorado Denver
Beyond Conventional QM/MM Methods: Potential & Dynamics

06.11.2012

Dr. Elena Voloshina
Institut f. Chemie und Biochemie, Freie Universität Berlin
The method of increments - a wavefunction-based correlation method for solids and surfaces

20.11.2012

Dr. Andreas Grüneis
Faculty of Physics, University of Vienna
Wavefunction based methods for extended systems

27.11.2012

Prof. Dr. A. Császár
Eötvös Loránd University, Budapest
The fourth age of quantum chemistry: molecules in motion

04.12.2012

Prof. Dr. Reinhold Fink
Institut f. Physikal. und Theor. Chemie, Univ. Tübingen
New perturbation theories for electronic structure calculations

18.12.2012

Dr. Enrique Abad González
Institut f. Theoretische Chemie, Universität Stuttgart
Reaction mechanism of the enzyme PHM: quantum tunneling and origin of kinetic isotope effects

08.01.2013

Prof. Dr. Michael Dolg
Institut f. Theoretische Chemie, Univ. Köln
Quantum chemical study of the Ln(III)/An(III) separation with Cyanex 301

22.01.2013

Matthias Hanauer
Institut f. Physikalische Chemie, Universität Mainz
Internally contracted multireference coupled cluster theory: Towards a gold standard for systems with complicated electronic structure

29.01.2013

Dr. M. Ali Celik
Institut f. Theoretische Chemie, Universität Stuttgart
Identification of Protonation and Oxidation States of the Oxygen Evolving Complex

05.02.2013

Dr. Christoph Scheurer
Institut f. Theoretische Chemie, TU München
Curvilinear Coordinates, the Kinetic Energy Operator, and VSCF/VCI
Sondertermin: 14:00 Uhr

08.02.2013

Dr. Ilia A. Solov'yov
University of Illinois, Urbana-Champaign, USA
From the Biophysical Mechanism of Avain Magnetoreception to Quantum Effects in Biology
Sondertermin: 14:00 Uhr