Guillaume Hoffmann Enseignant - Chercheur à l'Université Claude Bernard Lyon 1 au sein de l'Institut des Sciences Analytiques.

Publications

Article dans une revue (16)

Nickel and Copper in C–H Activation and Carbenoid Chemistry: A Descriptor-Based Comparative Analysis of Transition Metals Sasha Gazzari-Jara,Olivier Aroule,Guillaume Hoffmann,Henry Chermette,Christophe Morellet al. Journal of Physical Chemistry A, 2026, 130 (5), pp.1078-1089. ⟨10.1021/acs.jpca.5c07321⟩ Article dans une revue hal-05496782v1
The anomeric effect (Edward–Lemieux): A conceptual density functional theory viewpoint Olivier Aroule,Rémi Grincourt,Christophe Morell,Guillaume Hoffmann Journal of Chemical Sciences, 2026, 138 (1), pp.13. ⟨10.1007/s12039-025-02467-7⟩ Article dans une revue hal-05517553v1
Chemical reactivity from linear response eigenfunctions and eigenvalues Rémi Grincourt,Guillaume Hoffmann,Frédéric Guégan,Vincent Tognetti,Laurent Joubertet al. The Journal of Chemical Physics, 2025, 163 (13), pp.134118. ⟨10.1063/5.0277034⟩ Article dans une revue hal-05300071v1
Electrical analogy between a capacitor and the condensed linear response function Rémi Grincourt,Olivier Aroule,Christophe Morell,Henry Chermette,Guillaume Hoffmann Journal of Molecular Modeling, 2025, 31 (12), pp.334. ⟨10.1007/s00894-025-06572-9⟩ Article dans une revue hal-05459475v1
A Conceptual Density Functional Theory-Based Maximum Nucleophilicity Principle Olivier Aroule,Christophe Morell,Henry Chermette,Guillaume Hoffmann Journal of Physical Chemistry A, 2025, 129 (37), pp.8714-8720. ⟨10.1021/acs.jpca.5c04610⟩ Article dans une revue hal-05459473v1
Predicting and controlling the second-order NLO response in a new class of multi-decker sandwich clusters {µ-B2H2S2Pd(Cl)2}-(CoCp)n, (n = 2 to 5) Meriem Zaidi,Douniazed Hannachi,Djamila Samsar,Guillaume Hoffmann,Henry Chermette Journal of Photochemistry and Photobiology A: Chemistry, 2025, 469 (8), pp.116523. ⟨10.1016/j.jphotochem.2025.116523⟩ Article dans une revue hal-05126600v1
In Silico Study: DFT / TDDFT /Admet and Molecular Docking, of Some Phytochemical Components of Plants Widely Used for the Treatment of COVID‐19 Samira Zeroual,Saad Bouchekioua,Rafik Menacer,Guillaume Hoffmann,Henry Chermette International Journal of Quantum Chemistry, 2025, 125 (8), ⟨10.1002/qua.70025⟩ Article dans une revue hal-05030787v1
Presenting GAELLE: An Online Genetic Algorithm for Electronic Landscapes Exploration of Reactive Conformers Olivier Aroule,Fabien Torralba,Guillaume Hoffmann AI Chemistry, 2025, 1 (1), pp.1. ⟨10.3390/aichem1010001⟩ Article dans une revue hal-05459227v1
Chemical reactivity inside carbon cages: theoretical insights from a fullerene confinement Christophe Morell,Yanis Abid Charef,Guillaume Hoffmann Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2024, 143 (9), pp.66. ⟨10.1007/s00214-024-03141-w⟩ Article dans une revue hal-04990030v1
Revisiting nucleophilicity: an index for chemical reactivity from a CDFT approach Guillaume Hoffmann,Henry Chermette,Christophe Morell Journal of Molecular Modeling, 2024, 30 (7), pp.232. ⟨10.1007/s00894-024-06020-0⟩ Article dans une revue hal-04990034v1
Expanding horizons in conceptual density functional theory: Novel ensembles and descriptors to decipher reactivity patterns Guillaume Hoffmann,Frédéric Guégan,Vanessa Labet,Laurent Joubert,Henry Chermetteet al. Journal of Computational Chemistry, 2024, 45 (20), pp.1716-1726. ⟨10.1002/jcc.27363⟩ Article dans une revue hal-04990042v1
Finishing (off) the Klopman–Salem model: the importance of density polarization energy Frédéric Guégan,Yanis Abid-Charef,Guillaume Hoffmann,Henry Chermette,Christophe Morell Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2023, 142 (10), pp.104. ⟨10.1007/s00214-023-03040-6⟩ Article dans une revue hal-04227348v1
Insight into the Varying Reactivity of Different Catalysts for CO2 Cycloaddition into Styrene Oxide: An Experimental and DFT Study Angelo Pio Sebaaly,Hugo Dias,Lorraine Christ,Lynda Merzoud,Henry Chermetteet al. International Journal of Molecular Sciences, 2023, 24 (3), pp.2123. ⟨10.3390/ijms24032123⟩ Article dans une revue hal-04002418v1
A theoretical study on aza-Michael additions Aël Cador,Guillaume Hoffmann,Vincent Tognetti,Laurent Joubert Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2022, 141 (11), pp.70. ⟨10.1007/s00214-022-02921-6⟩ Article dans une revue hal-04002432v1
Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach Guillaume Hoffmann,Muhammet Balcilar,Vincent Tognetti,Pierre Héroux,Benoît Gaüzèreet al. Journal of Computational Chemistry, 2020, 41 (24), pp.2124-2136. ⟨10.1002/jcc.26376⟩ Article dans une revue hal-05281765v1
On the influence of dynamical effects on reactivity descriptors Guillaume Hoffmann,Vincent Tognetti,Laurent Joubert Chemical Physics Letters, 2019, 724, pp.24-28. ⟨10.1016/j.cplett.2019.03.040⟩ Article dans une revue hal-02330543v1

Poster de conférence (4)

On the classification of 1H NMR plants spectra (at industrial scale) with a combined machine learning and metabolomic approach Fabien Torralba,Guillaume Hoffmann,Asma Bourafai-Aziez,Emmanuel Cassin,Christophe Morell Journée école doctorale chimie 2025, May 2025, Lyon (France), France Poster de conférence hal-05464894v1
The Anomeric Effect (Edward-Lemieux): a Conceptual Density Functional Theory Viewpoint Olivier Aroule,Rémi Grincourt,Guillaume Hoffmann,Christophe Morell World Association of Theoretical and Computational Chemists, Jun 2025, Oslo, Norway Poster de conférence hal-05404921v1
Intelligent modeling and classification of NMR spectroscopic data Fabien Torralba,Guillaume Hoffmann,Asma Bourafai-Aziez,Christelle Bonnefoy,Emmanuel Cassinet al. 16 emes journées Scientifiques du Réseau Francophone de Métabolomique et Fluxomique, Jun 2024, Saint-Malo (France), France Poster de conférence hal-05464856v1
Intelligent modeling and classification of NMR spectroscopic data Fabien Torralba,Guillaume Hoffmann,Asma Bourafai-Aziez,Christelle Bonnefoy,Emmanuel Cassinet al. Rencontres ThéMoSiA-RCTF 2024, Jun 2024, Rouen (France), France Poster de conférence hal-05464868v1

Communication dans un congrès (5)

On the classification of 1H NMR plants spectra (at an industrial scale) with a combined machine learning and metabolomic approach Fabien Torralba,Christophe Morell,Asma Bourafai-Aziez,Guillaume Hoffmann NMR metabolomics symposium, Jun 2025, Nantes, France Communication dans un congrès hal-05464917v1
On the classification of 1H NMR plants spectra (at an industrial scale) with a combined machine learning and metabolomic approach Fabien Torralba,Christophe Morell,Asma Bourafai-Aziez,Guillaume Hoffmann 3rd International Conference on Machine Learning and Pattern Recognition, Jul 2025, Kyoto, Japan Communication dans un congrès hal-05464906v1
On the classification of 1H NMR plants spectra (at an industrial scale) with a combined machine learning and metabolomic approach Fabien Torralba,Christophe Morell,Asma Bourafai-Aziez,Guillaume Hoffmann Machine Learning methods for Chemistry and Physics, Jun 2025, Lyon, France Communication dans un congrès hal-05464919v1
Redox reactivity of porphyrins: from functionalization to material synthesis and their applications Charles H. Devillers,Julie Echaubard,Fatima Akhssas,Paul Fleurat-Lessard,Julien Rogeret al. Invited Seminar by Pierre D. Harvey, Pierre D. Harvey, Jul 2024, Sherbrooke (Québec), Canada Communication dans un congrès hal-04762462v1
Expanding Horizons in Conceptual Density Functional Theory: Novel Ensembles and Descriptors to Decipher Reactivity Patterns Guillaume Hoffmann Chemical Concepts from Theory and Computation 3, Dec 2023, Lyon, France Communication dans un congrès hal-04989970v1

Chapitre d'ouvrage (1)

Excited States in Conceptual DFT Frédéric Guégan,Guillaume Hoffmann,Henry Chermette,Christophe Morell Shubin 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-04990624v1