Frédéric Guégan

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 3

Top Topics

Empirical Findings

Computational Model

Top Venues

J. Comput. Chem.

Publications

Guillaume Hoffmann, Frédéric Guégan, Vanessa Labet, Laurent Joubert, Henry Chermette, Christophe Morell, Vincent Tognetti
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns. J. Comput. Chem. 45 (20) (2024)
Walid Lamine, Frédéric Guégan, François Jérôme, Gilles Frapper
Theoretical exploration of the reactivity of cellulose models under non-thermal plasma conditions - mechanistic and NBO studies. J. Comput. Chem. 43 (20) (2022)
Lynda Merzoud, Frédéric Guégan, Henry Chermette, Christophe Morell
Understanding the intermolecular Diels-Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory viewpoints. J. Comput. Chem. 42 (19) (2021)