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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.
ACS Catalysis, 2019, 9 (3), pp.2594-2598. ⟨10.1021/acscatal.9b00354⟩
Journal articles hal-02278764v1

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.
Journal of Chromatography A, 2017, 1519, pp.91-99. ⟨10.1016/j.chroma.2017.08.083⟩
Journal articles hal-01928169v1

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.
Tetrahedron, 2015, 71 (42), pp.8067-8076. ⟨10.1016/j.tet.2015.08.050⟩
Journal articles hal-01226896v1

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.
Journal of Molecular Modeling, 2016, 22 (1), pp.18. ⟨10.1007/s00894-015-2861-4⟩
Journal articles hal-01889537v1

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.
Journal of Organic Chemistry, 2014, 79 (3), pp.1303-1319. ⟨10.1021/jo402729a⟩
Journal articles hal-00996570v1

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
Conference papers hal-02548358v1

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.
Organic Letters, 2017, 19 (8), pp.2106-2109. ⟨10.1021/acs.orglett.7b00704⟩
Journal articles hal-02046319v1

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.
Organometallics, 2015, 34 (10), pp.1932-1941. ⟨10.1021/acs.organomet.5b00162⟩
Journal articles hal-02019285v1

DFT investigation on the nickel(II) catalyzed dimerization of ethylene.

Vincent Tognetti , Antoine Buchard , Audrey Auffrant , Carlo Adamo , Pascal Le Floch
Journal of the American Chemical Society, 1988, pp.SOUMIS
Journal articles hal-00169104v1

Investigation of Drug–Excipient Interactions in Biclotymol Amorphous Solid Dispersions

Benjamin Schammé , Nicolas Couvrat , Vincent Tognetti , Laurent Delbreilh , Valérie Dupray , et al.
Molecular Pharmaceutics, 2018, 15 (3), pp.1112-1125. ⟨10.1021/acs.molpharmaceut.7b00993⟩
Journal articles hal-01857154v1

Nine questions on energy decomposition analysis

Juan Andres , Paul Ayers , Roberto A Boto , Ramon Carbó‐dorca , Henry Chermette , et al.
Journal of Computational Chemistry, 2019, 40 (26), pp.2248-2283. ⟨10.1002/jcc.26003⟩
Journal articles hal-02330538v1

New conceptual DFT descriptors for reactivity

Vincent Tognetti
International Conference on Density Functional Theory and its Applications (16, 2015), Aug 2015, Debrecen, Hungary
Conference papers hal-02378902v1

Sections efficaces de collision expérimentales et théoriques de polyoxométalates

Sébastien Hupin , Hélène Lavanant , Rosu F. , Vincent Tognetti , Izzet G. , et al.
Rencontres du Club jeune de la Société française de spectrométrie de masse (SFSM, 23, 2018), Mar 2018, Saint-Martin-de-Londres, France
Conference papers hal-02381312v1

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.
European Journal of Organic Chemistry, 2016, 2016 (21), pp.3592-3602. ⟨10.1002/ejoc.201600530⟩
Journal articles istex hal-01928678v1

Electron density Laplacian and halogen bonds

Vincent Tognetti , Laurent Joubert
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2015, 134 (7), pp.90. ⟨10.1007/s00214-015-1685-8⟩
Journal articles hal-02046173v1

Unraveling charge transfer processes with the quantum theory of atoms-in-molecules

Vincent Tognetti , Laurent Joubert
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2016, 135 (5), pp.124. ⟨10.1007/s00214-016-1873-1⟩
Journal articles hal-02046243v1

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 communications hal-02548635v1

Reaction site-driven regioselective synthesis of AChE inhibitors

Emilia Oueis , Gianluca Santoni , Cyril Ronco , Olga A. Syzgantseva , Vincent Tognetti , et al.
Organic & Biomolecular Chemistry, 2014, 12 (1), pp.156-161. ⟨10.1039/C3OB42109K⟩
Journal articles hal-02335933v1

Interactions en chimie organométallique : trop complexes pour la théorie ?

Vincent Tognetti
Journées de chimie X-ENS-ESPCI, Mar 2015, Paris, France
Conference papers hal-02389180v1

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.
Physical Chemistry Chemical Physics, 2019, 21 (28), pp.15487-15503. ⟨10.1039/c9cp01902b⟩
Journal articles hal-02330560v1

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⟩
Journal articles hal-02024501v1

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
Journal of Physical Chemistry A, 2018, 122 (38), pp.7748-7756. ⟨10.1021/acs.jpca.8b05357⟩
Journal articles hal-02024537v1

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 communications hal-02130722v1

A Study On The Stability of Graph Edit Distance Heuristics

Linlin Jia , Vincent Tognetti , Laurent Joubert , Benoit Gaüzère , Paul Honeine
Electronics, 2022, 11 (20), pp.3312. ⟨10.3390/electronics11203312⟩
Journal articles hal-03816056v1
Image document

Fonctions de Fukui : un outil pour l'étude de la réactivité chimique

A. Moncomble , Vincent Tognetti
Le Bulletin de l'Union des Professeurs de Physique et de Chimie, 2014, 108, pp.239-254
Journal articles hal-01063736v1

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.
Journal of Physical Chemistry A, 2012, 116 (33), pp.8634-8643. ⟨10.1021/jp305269y⟩
Journal articles hal-00996386v1

Towards the first theoretical scale of the trans effect in octahedral complexes

Frédéric Guégan , Vincent Tognetti , Laurent Joubert , Henry Chermette , Dominique Luneau , et al.
Physical Chemistry Chemical Physics, 2016, 18 (2), pp.982-990 ⟨10.1039/c5cp04982b⟩
Journal articles hal-01363811v1
Image document

Polarisation of Electron Density and Electronic Effects: Revisiting the Carbon–Halogen Bonds

Sébastien Menant , Frédéric Guégan , Vincent Tognetti , Lynda Merzoud , Laurent Joubert , et al.
Molecules, 2021, 26 (20), pp.6218. ⟨10.3390/molecules26206218⟩
Journal articles hal-03449144v1

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.
Journal of Physical Chemistry A, 2014, 118 (4), pp.757-764. ⟨10.1021/jp410407u⟩
Journal articles hal-01150297v1

Electron density and chemical reactivity: A synergetic DFT-CDFT-QTAIM approach

Vincent Tognetti
Solvay workshop on conceptual quantum chemistry, Apr 2016, Bruxelles, Belgium
Conference papers hal-02379357v1