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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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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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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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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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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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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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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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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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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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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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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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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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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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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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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Alkyllithium Mixed Aggregates: Dynamic Behavior and Comprehensive Analysis of NMR 2 J 7 Li– 7 Li Spin–Spin Coupling
Ghanem Hamdoun
,
Muriel Sebban
,
Vincent Tognetti
,
Anne Harrison-Marchand
,
Laurent Joubert
,
et al.
Article dans une revue
hal-02019285v1
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Nine questions on energy decomposition analysis
Juan Andres
,
Paul Ayers
,
Roberto A Boto
,
Ramon Carbó‐dorca
,
Henry Chermette
,
et al.
Article dans une revue
hal-02330538v1
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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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Unraveling charge transfer processes with the quantum theory of atoms-in-molecules
Vincent Tognetti
,
Laurent Joubert
Article dans une revue
hal-02046243v1
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What electron density can tell us about halogen bonds?
Laurent Joubert
Symposium on chemical bonding (ESCB, 2, 2018) , Sep 2018, Oviedo, Spain
Communication dans un congrès
hal-02384937v1
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Electron density Laplacian and halogen bonds
Vincent Tognetti
,
Laurent Joubert
Article dans une revue
hal-02046173v1
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Bi(OTf) 3 -Catalysed Access to 2,3-Substituted Isoindolinones and Tricyclic N,O-Acetals by Trapping of Bis- N -Acyliminium Species in a Tandem Process
Ahmed Aliyenne
,
Frédéric Pin
,
Vijaykumar Nimbarte
,
Ata Martin Lawson
,
Sébastien Comesse
,
et al.
Article dans une revue
istex
hal-01928678v1
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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.
Groupement d'études de résonance magnétique (GERM, 2014) , Jun 2014, Biarritz, France
Poster de conférence
hal-02548635v1
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QSPR modeling of thermal stability of nitroaromatic compounds : DFT vs AM1 calculated descriptors
Guillaume Fayet
,
Patricia Rotureau
,
Laurent Joubert
,
Carlo Adamo
Article dans une revue
istex
ineris-00963224v1
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Quantifying electro/nucleophilicity by partitioning the dual descriptor
Vincent Tognetti
,
Christophe Morell
,
Laurent Joubert
Article dans une revue
istex
hal-01187097v1
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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.
Groupement d'études de résonance magnétique (GERM, 2014) , Jun 2014, Biarritz, France
Communication dans un congrès
hal-02548340v1
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Using DFT approaches to investigate the enhanced aromatic selectivity of new antracenyl polar embedded stationary phases for Liquid Chromatography
Mélanie Mignot
,
Benjamin Schammé
,
Vincent Tognetti
,
Laurent Joubert
,
Alain Tchapla
,
et al.
European symposium on chemical bonding (ESCB, 1, 2016) , Aug 2016, Rouen, France
Communication dans un congrès
hal-02130435v1
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