
Frédéric Guégan
Présentation
F. Guegan completed his PhD in 2016 at the University of Lyon, under the supervision of C. Morell (ISA) and D. Luneau (LMI), on joint theoretical/experimental studies of magneto-luminescent coordination complexes. He was then recruited in 2017 as a post-doc at the LCT (Sorbonne Univ.) under the supervision of H. Gerard and S. Halbert, on the theoretical study of the competition between radicalar and polar pathways in the silylzincation reaction of alkynes (LabEx MiChem). Since 2018, he is assistant professor at IC2MP (Univ. Poitiers-CNRS). His work deals with the theoretical study of chemical reactivity and selectivity, both by explicit reaction paths calculations and the development of descriptors (within the frame of conceptual DFT).
Publications
Publications
Excited States in Conceptual DFTShubin Liu. Exploring Chemical Concepts Through Theory and Computation, Wiley-VCH, pp.371-378, 2024, 9783527352487 (print) ; 9783527843435 (online). ⟨10.1002/9783527843435.ch14⟩
Chapitre d'ouvrage
hal-04990624
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A Perspective on the so-called Dual DescriptorPratim Kumar Chattaraj, Debdutta Chakraborty. Chemical Reactivity in Confined Systems, Jon Wiley & Sons, 2021, 9781119684022
Chapitre d'ouvrage
hal-03933168
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How can excited states help understand the chemical Selectivity of molecules in their ground state19th International Conference on Density Functional Theory and its Applications, Pr. Frank de Proft, Aug 2022, Bruxelles, Belgium
Communication dans un congrès
hal-04785520
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Klopman-Salem Model: has de density polarization energy been overlooked?The International Chemical Congress of Pacific Basin Societies 2021 - Pacifichem 2021, Dec 2021, Honolulu, Hawaii, United States
Communication dans un congrès
hal-03562881
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A statistical physics view of molecular electron density perturbation by an electrostatic fieldThe International Chemical Congress of Pacific Basin Societies 2021 - Pacifichem 2021, Dec 2021, Honolulu, Hawaii, United States
Communication dans un congrès
hal-03562878
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Understanding Chemical Selectivity through well-chosen excited statesSecond European Symposium on Chemical Bonding (ESCB), Sep 2018, Oviedo, Spain
Communication dans un congrès
hal-01861444
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Joint experimental and theoretical approaches in coordination chemistry : from the trans effects to Single Molecule MagnetsCoordination chemistry. Université de Lyon, 2016. English. ⟨NNT : 2016LYSE1267⟩
Thèse
tel-01475448
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