Contact

Miroslav Kohout
Phone: +49 351 4646-4229
Fax: +49 351 4646-4002
Room: B3.4.26

New tools for the bonding analysis in real space

The bonding situation in solids can be analyzed in real space using suitable descriptors. The already established approaches based on the evaluation of electron density and its derivatives (Bader's analysis) are useful to elucidate some aspects of the solid state systems. However, to allow for the analysis of certain specific characteristic of the bonding new versatile tools must be utilized.

The development and application of methods for bonding analysis in molecules and solids is realized by the members of the competence group Chemical Bonding.

 
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