Environmental and Digital Sciences Department
Study the interaction of contaminants such as pesticides with water and soil models: adsorption/desorption, solvation.
Identifiers:
ORCID: 0000-0003-0804-3024
IDHAL: fabienne-bessac
Physics, Mathematics
Head of International Programs
EPE (Experimental Public Institution) advisor for PURPAN
Accreditation to Supervise Research (HDR)
PhD in Theoretical Physical Chemistry – University Paul Sabatier, Toulouse, France (2004)
PhD in Physical Chemistry – Philipps-Universität Marburg, Germany (2005)
ATER (Temporary teaching and research assistant): – University Paul Sabatier, Toulouse, France
2005-2007: Postdoc project manager – ICIQ Institut Català d’Investigació Química, Tarragona, Spain
- “Theoretical Study of the Atrazine Pesticide Interaction with Pyrophyllite and Ca2+-Montmorillonite Clay Surfaces.” Belzunces B., Hoyau S., Benoit M., Tarrat N., Bessac F. Journal of Computational Chemistry 2017, 38, 133.
- “Categorizing chlordecone potential degradation products to explore their environmental fate.” Benoit P., Mamy L., Servien R., Li Z., Latrille E., Rossard V., Bessac F., Patureau D., Martin-Laurent F. Science of the Total Environment 2017, 574, 781.
- “Le projet ACTIFS face à l’altérité des étudiants et des établissements.” Bonnefont C., Bessac F., Dairaine L., Huez J., Rabut C., Zaraté P. Actes du IXème colloque QPES : relever les défis de l’altérité dans l’enseignement supérieur 2017, 321-328.
- “Pesticide interaction with environmentally important cations: A molecular dynamics and DFT study of metamitron and fenhexamid.” Belzunces B., Hoyau S., Cuny J., Bessac F. Computational and Theoretical Chemistry 2017, 1117, 220.
- “Interaction of metamitron and fenhexamid with Ca2+-Montmorillonite Clay Surfaces: A density functional theory molecular dynamics study.” Belzunces B., Hoyau S., Bessac F., Journal of Computational Chemistry 2019, 40, 1449.
- “Accuracy of Computational Chemistry Methods to Calculate Organic Contaminant Molecular Properties.” Bonnot K., Benoit P., Hoyau S., Mamy L., Patureau D., Servien R., Rapacioli M., Bessac F. ChemistrySelect, 2022, 7, e202203586. https://doi.org/10.1002/slct.202203586
- “Desorption mechanism of a pesticide from a hydrated calcium montmorillonite unraveled by molecular dynamics simulations.” Belzunces B., Hoyau S., Cuny J., Bessac F. J. Phys. Chem. C, 2023, 127, 27, 12953-12966. https://doi.org/10.1021/acs.jpcc.3c01006
- “Atrazine Desorption Mechanism from a Hydrated Calcium Montmorillonite – A DFT Molecular Dynamics Study.” Desdion, Q., Bessac, F., Hoyau, S. Int. J. Mol. Sci. 2024, 25, 1604.
- https://doi.org/10.3390/ijms25031604
LCPQ (Quantum Physics and Chemistry Laboratory) – UMR 5626 UT, Toulouse, France