Cornaton Yann: Unveiling the FHF- Potential Surface

Cornaton Yann from UiT is giving this talk.


Unveiling the FHF- Potential Surface

The bifluoride anion (FHF-) is the smallest example of a system exhibiting an hydrogen bond. It is also the strongest hydrongen-bonded system. As part of a project aiming at determining the nature of the hydrogen-bond, a new global analytical Potential Energy Surface (PES) has been developped for this system. The approach used for the modelizaton of this surface is based on the coupling of potentials used for the description of covalent and electrostatic interactions. The strategy used for this modelization will be discussed as well as its validity with respect to experiment and previous theoretical works.

Published June 9, 2015 11:50 AM - Last modified June 9, 2015 11:50 AM