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Zernike Institute for Advanced Materials Colloquium Frank Neese


01 April 2010 FWN-Building 5111.0080, Nijenborgh 4, 9747 AG, Groningen
Speaker: Prof. Dr. Frank Neese
Affiliation: Chair of Theoretical Chemistry, University Bonn, Germany
Title: Spin dependent effects in chemistry
Date: Thu Apr 1, 2010
Start: 16.00 (Doors open and coffee available at 15.30)
Location: FWN-Building 5111.0080


Open-shell transition metal ions display a number of distinct features in molecular electronic and magnetic spectra. While these can be probed by a large and powerful array of experimental methods, the interpretation of the experimental results is not always straightforward. Over the past years we have been involved in intense efforts to calculate these spectroscopic properties using wavefunction based methods as well as density functional linear response theory.
There have been numerous applications of the methods that have been developed in the framework of the ORCA program. In the lecture the present state-of-the art in the field will be present.
Last modified:22 October 2012 2.30 p.m.