Dept. of Biochemistry & Organic Chemistry

Theoretical investigations of triplet state aromaticity

I am mainly interested in the study of excited states, spectroscopy and photochemistry of molecules using quantum chemical methods. At Uppsala University, I investigate triplet state aromaticity using the Electron Localization Function. I am also interested in the spectroscopy of molecules adsorbed on metallic surfaces.

Brief CV
2006-present: Postdoc in Henrik Ottosson's group, Uppsala University, Sweden

2005-2006: Attaché Temporaire d'Enseignement et de Recherche,
Teaching and Research position, Department of Chemistry, Université Louis Pasteur, STRASBOURG I, France

2001-2005: PhD in Computational Chemistry, Université Louis Pasteur, STRASBOURG I, France : Electronic Spectroscopy and Photochemistry of small transition metal complexes studied via Coupled Cluster calculations and Wavepacket propagation (electronic version at
http://eprints-scd-ulp.u-strasbg.fr:8080/527/ )

Liens:
------
[1] http://eprints-scd-ulp.u-strasbg.fr:8080/527/

Publications from postdoctoral period

Triplet state aromaticity of 4npi-Electron monocycles: Analysis of the bifurcation in the pi-contribution to the electron localization function
Heather A. Fogarty, Sebastien Villaume, and and Henrik Ottosson
Manuscript for ChemPhysChem