Institut für Theoretische Chemie

Universität Stuttgart

Prof. Dr. H.-J. Werner

Telefon: (0711) 685-64401


Kolloquien (05600): Sommersemester 2007

Dienstag, 16.00-17.30 Uhr, Seminarraum S8.109


Prof. Laszlo v. Szentpaly
Institut f. Theoretische Chemie, Univ. Stuttgart
Critique and correction of conceptual DFT: Shared pair aspects of electronegativity and electrophilicity


PD Dr. Klaus Doll
MPI für Festkörperforschung Stuttgart
Electronic structure calculations for magnetic systems and for metallic surfaces


Dr. Michael Hanrath
Institut f. Theoretische Chemie, Univ. Köln
MRexpT: Ansatz, Technicalities and Applications


Dr. David Tew
Institut f. Physikalische Chemie, Univ. Karlsruhe
Explicitly-correlated coupled-cluster methods


PD Dr. Christian Schön
MPI für Festkörperforschung Stuttgart
Studying amorphous and crystalline materials via the exploration of their energy landscapes: Methods and Applications


Aygul Zagidullina
Institut f. Theoretische Chemie, Univ. Stuttgart
Quantum chemical investigation of complexation of organoaluminum compounds with halogen-containing Lewis bases


Helena Komnik
Institut f. Theoretische Chemie, Univ. Stuttgart
Adjustment of the energy-consistent pseudopotentials for second-row elements and application of energy-consistent pseudopotentials to the calculation of zeolite structures