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)|
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.
|Laatst gewijzigd:||22 oktober 2012 14:30|