Catalytic Enantioselective Cyclopropanation of α-Fluoroacrylates: An Experimental and Theoretical Study
Amandine Pons
,
Vincent Tognetti
,
Laurent Joubert
,
Thomas Poisson
,
Xavier Pannecoucke
,
et al.
Article dans une revue
hal-02278764v1
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A DFT study of the formation of xanthydrol motifs during electrophilic poly(aryl ether ketone) synthesis
Sigismund Melissen
,
Vincent Tognetti
,
Georges Dupas
,
Julien Jouanneau
,
Guillaume Lê
,
et al.
Article dans une revue
hal-01889537v1
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New 1H and 19F NMR experiments applied to conformational analysis of fluorinated carbohydrates
Laura Bailac
,
Muriel Sebban
,
Bruno Linclau
,
Vincent Tognetti
,
Laurent Joubert
,
et al.
Colloque Français de la Chimie du Fluor (CFCF, 1, 2014) , May 2014, Gif-sur-Yvette, France
Communication dans un congrès
hal-02548358v1
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Metal-Free Decarboxylative Hetero-Diels-Alder Synthesis of 3-Hydroxypyridines: A Rapid Access to N-Fused Bicyclic Hydroxypiperidine Scaffolds.
Laurie-Anne Jouanno
,
Vincent Di Mascio
,
Vincent Tognetti
,
Laurent Joubert
,
Cyrille Sabot
,
et al.
Article dans une revue
hal-00996570v1
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Anthracenyl polar embedded stationary phases with enhanced aromatic selectivity. Part II: A density functional theory study
Mélanie Mignot
,
Benjamin Schammé
,
Vincent Tognetti
,
Laurent Joubert
,
Pascal Cardinaël
,
et al.
Article dans une revue
hal-01928169v1
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Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization
Qun Zhao
,
Vincent Tognetti
,
Laurent Joubert
,
Tatiana Besset
,
Xavier Pannecoucke
,
et al.
Article dans une revue
hal-02046319v1
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Synthesis of SF5-substituted isoxazolidines using 1,3-dipolar cycloaddition reactions of nitrones with pentafluorosulfanyl acrylic esters and amides
Ewelina Falkowska
,
Mathieu Y. Laurent
,
Vincent Tognetti
,
Laurent Joubert
,
Philippe Jubault
,
et al.
Article dans une revue
hal-01226896v1
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Predicting explosibility properties of chemical substances from a combined DFT-QSPR approach
Guillaume Fayet
,
Laurent Joubert
,
Patricia Rotureau
,
Carlo Adamo
13. International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09) , Aug 2009, Lyon, France
Communication dans un congrès
ineris-00970503v1
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Development of a new QSPR based tool to predict explosibility properties of chemical substances within the framework of REACH and GHS
Guillaume Fayet
,
Patricia Rotureau
,
Laurent Joubert
,
Carlo Adamo
13. International Symposium on Loss Prevention and Safety Promotion in the Process Industry , Jun 2010, Bruges, Belgium. pp.387-390
Communication dans un congrès
ineris-00973567v1
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A Study On The Stability of Graph Edit Distance Heuristics
Linlin Jia
,
Vincent Tognetti
,
Laurent Joubert
,
Benoit Gaüzère
,
Paul Honeine
Article dans une revue
hal-03816056v1
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Reaction site-driven regioselective synthesis of AChE inhibitors
Emilia Oueis
,
Gianluca Santoni
,
Cyril Ronco
,
Olga A. Syzgantseva
,
Vincent Tognetti
,
et al.
Article dans une revue
hal-02335933v1
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Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
Laurent Joubert
Congress of Theoretical Chemists of Latin Expression (QUITEL, 44, 2018) , Oct 2018, Santiago, Chile
Communication dans un congrès
hal-02404579v1
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Microwave preparation, characterization, and evaluation of a new polarembedded aromatic core-shell stationary phase for high-performance liquid chromatography
Mélanie Mignot
,
Benjamin Schammé
,
Vincent Tognetti
,
Laurent Joubert
,
Alain Tchapla
,
et al.
International Symposium on High Performance Liquid Phase Separations & Related Techniques (HPLC, 2015) , Jun 2015, Genève, Switzerland
Poster de conférence
hal-02130722v1
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On the importance of intramolecular hydrogen bond cooperativity in d‐glucose – an NMR and QTAIM approach
J.S. Lomas
,
Laurent Joubert
Article dans une revue
hal-02046296v1
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Rational design of novel fluorescent analogues of cholesterol: a “step-by-step” computational study
Andrea Bonvicini
,
Peter Reinholdt
,
Vincent Tognetti
,
Laurent Joubert
,
Daniel Wüstner
,
et al.
Article dans une revue
hal-02330560v1
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Electronic excitations in epicocconone analogues: TDDFT methodological assessment guided by experiment.
Olga A. Syzgantseva
,
Vincent Tognetti
,
Laurent Joubert
,
Agathe Boulangé
,
Philippe A. Peixoto
,
et al.
Article dans une revue
hal-00996386v1
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Decomposition of Møller-Plesset Energies within the Quantum Theory of Atoms-in-Molecules
Vincent Tognetti
,
A.F. Silva
,
M.A. Vincent
,
Laurent Joubert
,
P.L.A. Popelier
Article dans une revue
hal-02024537v1
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Mechanistic Insights into the Decarboxylative Electrophilic Trifluoromethylthiolation of β‐Ketocarboxylic Acids
Hélène Guyon
,
Hélène Chachignon
,
Vincent Tognetti
,
Laurent Joubert
,
Dominique Cahard
European Journal of Organic Chemistry , 2018, Special Issue: Organofluorine Chemistry in Europe, 2018 (27-28), pp.3756-3763.
⟨10.1002/ejoc.201800305⟩
Article dans une revue
hal-02024501v1
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Towards the first theoretical scale of the trans effect in octahedral complexes
Frédéric Guégan
,
Vincent Tognetti
,
Laurent Joubert
,
Henry Chermette
,
Dominique Luneau
,
et al.
Article dans une revue
hal-01363811v1
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Evaluating Charge Transfer in Epicocconone Analogues: Toward a Targeted Design of Fluorophores
Olga A. Syzgantseva
,
Vincent Tognetti
,
Agathe Boulangé
,
Philippe A. Peixoto
,
Stéphane Leleu
,
et al.
Article dans une revue
hal-01150297v1
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Implementation of CDFT and QTAIM tools for reactivity and bonding analysis (part I)
Laurent Joubert
Amsterdam Density Functional Developer Meeting (2018) , Mar 2018, Amsterdam, Netherlands
Communication dans un congrès
hal-02384246v1
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Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?
Guillaume Hoffmann
,
Vincent Tognetti
,
Laurent Joubert
Article dans une revue
hal-02024503v1
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Unraveling Charge Transfer Processes with the Quantum Theory of Atoms-in-Molecules
Laurent Joubert
International Society for Theoretical Chemical Physics (ISTCP, 2016) , Jul 2016, Grand Forks (ND), United States
Communication dans un congrès
hal-02388748v1
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Following Halogen Bonds Formation with Bader's Atoms-in-Molecules Theory
Vincent Tognetti
,
Laurent Joubert
Rémi Chauvin; Christine Lepetit; Bernard Silvi; Esmail Alikhani. Applications of Topological Methods in Molecular Chemistry , 22, Springer, pp.435-459, 2016, Challenges and Advances in Computational Chemistry and Physics, 978-3-319-29022-5
Chapitre d'ouvrage
hal-02024987v1
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New polar-embedded aromatic stationary phases for HPLC
M. Mignot
,
B. Schammé
,
V. Tognetti
,
L. Joubert
,
A. Tchapla
,
et al.
9ème Journées Scientifiques du Club Jeunes de l’AFSEP , Apr 2016, Rouen, France
Communication dans un congrès
hal-01939462v1
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Predicting explosibility properties of chemicals from quantitative structure-property relationships
Guillaume Fayet
,
Patricia Rotureau
,
Laurent Joubert
,
Carlo Adamo
AIChE Spring Meeting 2009 & 5. Global Congress on Process Safety & 43. Loss Prevention Symposium , Apr 2009, Tampa, United States. pp.NC
Communication dans un congrès
ineris-00970447v1
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Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex
V. Tognetti
,
L. Joubert
,
P. Cortona
,
C. Adamo
Article dans une revue
hal-00585543v1
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Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds
Sébastien Menant
,
Frédéric Guégan
,
Vincent Tognetti
,
Lynda Merzoud
,
Laurent Joubert
,
et al.
Article dans une revue
hal-03449144v1
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IR Fingerprints of U(VI) Nitrate Monoamides Complexes: A Joint Experimental and Theoretical Study
Antonio Prestianni
,
Laurent Joubert
,
Alexandre Chagnes
,
Gerard Cote
,
Marie-Noelle Ohnet
,
et al.
Article dans une revue
cea-03095730v1
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Quantitative structure-property relationship studies for predicting explosibility of nitroaromatic compounds
Guillaume Fayet
,
Patricia Rotureau
,
Laurent Joubert
,
Carlo Adamo
35. International Pyrotechnics Seminar (IPS 2008) , Jul 2008, Fort Collins, United States. pp.669-676
Communication dans un congrès
ineris-00970371v1
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