Frédéric Guégan
Frédéric Guégan
Maître de Conférences (Assist. Prof.), Université de Poitiers
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Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors
C Morell, JL Gázquez, A Vela, F Guégan, H Chermette
Physical Chemistry Chemical Physics 16 (48), 26832-26842, 2014
Iron and porphyrin metal–organic frameworks: insight into structural diversity, stability, and porosity
A Fateeva, J Clarisse, G Pilet, JM Grenèche, F Nouar, BK Abeykoon, ...
Crystal Growth & Design 15 (4), 1819-1826, 2015
Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands
F Guégan, P Mignon, V Tognetti, L Joubert, C Morell
Physical Chemistry Chemical Physics 16 (29), 15558-15569, 2014
Towards the first theoretical scale of the trans effect in octahedral complexes
F Guégan, V Tognetti, L Joubert, H Chermette, D Luneau, C Morell
Physical Chemistry Chemical Physics 18 (2), 982-990, 2016
Evidencing under-barrier phenomena in a Yb (III) SMM: a joint luminescence/neutron diffraction/SQUID study
F Guégan, J Jung, B Le Guennic, F Riobé, O Maury, B Gillon, JF Jacquot, ...
Inorganic Chemistry Frontiers 6 (11), 3152-3157, 2019
A Combined Experimental–Theoretical Study on Diels‐Alder Reaction with Bio‐Based Furfural: Towards Renewable Aromatics
I van Scodeller, K De Oliveira Vigier, E Muller, C Ma, F Guégan, ...
ChemSusChem 14 (1), 313-323, 2021
Prediction of Novel Tin Nitride SnxNy Phases Under Pressure
B Wang, R Larhlimi, H Valencia, F Guégan, G Frapper
The Journal of Physical Chemistry C 124 (15), 8080-8093, 2020
Understanding chemical selectivity through well selected excited states
F Guégan, T Pigeon, F De Proft, V Tognetti, L Joubert, H Chermette, ...
The Journal of Physical Chemistry A 124 (4), 633-641, 2019
An unprecedented up-field shift in the 13 C NMR spectrum of the carboxyl carbons of the lantern-type dinuclear complex TBA [Ru 2 (O 2 CCH 3) 4 Cl 2](TBA+= tetra (n-butyl …
Y Hiraoka, T Ikeue, H Sakiyama, F Guégan, D Luneau, B Gillon, ...
Dalton Transactions 44 (30), 13439-13443, 2015
Teaching an old molecule new tricks: evidence and rationalisation of the slow magnetisation dynamics in [DyTp 2 Acac]
F Guégan, F Riobé, O Maury, J Jung, B Le Guennic, C Morell, D Luneau
Inorganic Chemistry Frontiers 5 (6), 1346-1353, 2018
Predicted Polymeric and Layered Covalent Networks in Transition Metal Pentazolate M(cyclo-N5)x Phases at Ambient and High Pressure: Up to 20 Nitrogen …
B Huang, B Wang, S Wu, F Guégan, W Hu, G Frapper
Chemistry of Materials 33 (13), 5298-5307, 2021
Prediction of a New Layered Polymorph of FeS2 with Fe3+S2–(S22–)1/2 Structure
B Wang, I Braems, S Sasaki, F Guégan, L Cario, S Jobic, G Frapper
The Journal of Physical Chemistry Letters 11 (20), 8861-8866, 2020
Development of a Radical Silylzincation of (Het)Aryl‐Substituted Alkynes and Computational Insights into the Origin of the trans‐Stereoselectivity
E Romain, K de la Vega‐Hernández, F Guégan, J Sanz Garcia, C Fopp, ...
Advanced Synthesis & Catalysis 363 (10), 2634-2647, 2021
A statistical thermodynamics view of electron density polarisation: application to chemical selectivity
F Guégan, V Tognetti, JI Martínez-Araya, H Chermette, L Merzoud, ...
Physical Chemistry Chemical Physics 22 (41), 23553-23562, 2020
Comment on “Revisiting the definition of local hardness and hardness kernel” by CA Polanco-Ramirez, M. Franco-Pérez, J. Carmona-Espíndola, JL Gázquez and PW Ayers, Phys. Chem …
F Guégan, W Lamine, H Chermette, C Morell
Physical Chemistry Chemical Physics 20 (13), 9006-9010, 2018
Structural effects in octahedral carbonyl complexes: an atoms-in-molecules study
V Tognetti, F Guégan, D Luneau, H Chermette, C Morell, L Joubert
Theoretical Chemistry Accounts 136, 1-12, 2017
Putting xenon and nitrogen under pressure: towards new layered and two-dimensional nitrogen allotropes with crown ether-like nanopores
B Wang, F Guégan, G Frapper
Journal of Materials Chemistry C 10 (28), 10374-10381, 2022
Mapping the Magnetic Anisotropy inside a Ni4 Cubane Spin Cluster Using Polarized Neutron Diffraction
O Iasco, Y Chumakov, F Guégan, B Gillon, M Lenertz, A Bataille, ...
Magnetochemistry 3 (3), 25, 2017
Prediction of Two-Dimensional Group IV Nitrides AxNy (A = Sn, Ge, or Si): Diverse Stoichiometric Ratios, Ferromagnetism, and Auxetic Mechanical Property
H Zhang, J Wang, F Guégan, G Frapper
The Journal of Physical Chemistry Letters 13 (40), 9316-9325, 2022
Understanding the intermolecular Diels–Alder cycloaddition promotion: Activation strain model/energy decomposition analysis model and conceptual density functional theory …
L Merzoud, F Guégan, H Chermette, C Morell
Journal of computational chemistry 42 (19), 1364-1372, 2021
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