Navigation and service

PGI-1 Talk: Carl-Friedrich Schön

History and Future of Bonding Maps

begin
21 Oct 2020 11:30
venue
BigBlueButton

RWTH Aachen

Abstract:

This talk will give a short overview over the advancements that have been made in the development of bonding maps.
Map concepts based on electronegativity, orbital radii and density functional theory are presented and compared in terms of their predictive power.
While the focus will lie on the newest map iteration utilizing the parameters Electrons Shared and Electrons Transferred, a new tool of presenting all aforementioned map types will be shown.
Finally, an outlook to the topics of my Ph.D. thesis will be given.
Ongoing as well as planned projects within the scope of computational methods regarding chemical bonding are being discussed.

Contact

Prof. Dr. Stefan Blügel
Phone: +49 2461 61-4249
Fax: +49 2461 61-2850
email: s.bluegel@fz-juelich.de