Seminare 2011

10.11.2011

Sebastian Schmitt, Technische Universität, Kaiserslautern, Deutschland
Matrix elements of a spin orbit mean field (SOMF) operator: Implementation and evalution of the impact on zerofield splitt

27.10.2011

Dage Sundholm, Universität Helsinki, Finnland
The Gauge-Including Magnetically Induced Current Method

20.10.2011

Ali Hassanali, MPI für Polymerforschung, Mainz, Deutschland
Ions in water: the amorphous silica interface & the recombination of H30+ and OH-

21.07.2011

Pathak Shubhrodeep, Raman Center Kalkutta, Indien
Visualization of Magnetically Induced Current Densities at the Multi-configuration Level

30.06.2011

Katharina Wendler, MPI für Polymerforschung, Mainz, Deutschland
Locality and fluctuations: trends in imidazolium-based ionic liquids

30.06.2011

Mara Jochum, MPI für Polymerforschung, Mainz, Deutschland
Simulations of amphiphilic peptide assembly at the air/ water interface

06.06.2011

Mivsam Yekutiel, Universität Otago, Wellington, Neuseeland
From Phosphine to Phosphoric acid in Earth's atmosphere (Chronicles of Oxidation Foretold)

24.05.2011

Dipayan Datta, Universität Waterloo, Kanada
Development and Applications of State-specific and Multistate Multireference Coupled Cluster Methods

21.03.2011

Debashis Mukherjee, Raman Center Kalkutta, Indien
t. b. a.

18.03.2011

Debashis Mukherjee, Raman Center Kalkutta, Indien
State-specific Multi-reference Many-Body Formalisms: an Overview of Recent Developments

03.03.2011

Toru Shiozaki, Institut für Theoretische Chemie, Universität Stuttgart, Deutschland
Multireference Explicitly Correlated F12 Theories

10.02.2011

Luc Vereecken, MPI Chemie, Mainz, Deutschland
Theoretical Chemical Kinetics in Atmopsheric and Combustion Chemistry

25.01.2011

Cristina Puzzarini, Universität Bologna, Italien
t. b. a.