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	Pour les 93 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		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⟩ Article dans une revue hal-01150297v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors? Guillaume Hoffmann , Vincent Tognetti , Laurent Joubert Journal of Molecular Modeling, 2018, 24 (10), pp.281. ⟨10.1007/s00894-018-3802-9⟩ Article dans une revue hal-02024503v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-01363811v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-03449144v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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 Journal of Physical Chemistry A, 2009, 113 (44), pp.12322-12327. ⟨10.1021/jp9045534⟩ Article dans une revue hal-00585543v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-01889537v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-01928169v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-00996570v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-02278764v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-01226896v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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⟩ Article dans une revue hal-02046319v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Differentiation of gonyautoxins by ion mobility-mass spectrometry: A cationization study Salomé Poyer , Corinne Loutelier-Bourhis , Vincent Tognetti , Laurent Joubert , Julien Enche , et al. International Journal of Mass Spectrometry, 2016, 402, pp.20-28. ⟨10.1016/j.ijms.2016.02.013⟩ Article dans une revue hal-02046234v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Revisiting absorption and electronic circular dichroism spectra of cholesterol in solution: A joint experimental and theoretical study Andrea Bonvicini , Laure Guilhaudis , Vincent Tognetti , D. Desmaële , N. Sauvonnet , et al. Physical Chemistry Chemical Physics, 2018, 20 (7), pp.5274-5284. ⟨10.1039/c7cp07713k⟩ Article dans une revue hal-02024476v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails. Vincent Tognetti , Christophe Morell , Paul W. Ayers , Laurent Joubert , Henry Chermette Physical Chemistry Chemical Physics, 2013, 15 (34), pp.14465-14475. ⟨10.1039/c3cp51169c⟩ Article dans une revue hal-00859861v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New polar-embedded aromatic stationary phases for HPLC Mélanie Mignot , Benjamin Schammé , Vincent Tognetti , Laurent Joubert , Alain Tchapla , et al. Journées scientifiques du Club jeunes de l'Association francophone des sciences séparatives (AFSEP, 9, 2016), Apr 2016, Rouen, France Communication dans un congrès hal-02130694v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms. Vincent Tognetti , Laurent Joubert Journal of Chemical Physics, 2013, 138 (2), pp.024102. ⟨10.1063/1.4770495⟩ Article dans une revue hal-00996411v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Atomic decomposition of conceptual DFT descriptors: Application to proton transfer reactions R. Inostroza-Rivera , Meziane Yahia-Ouahmed , Vincent Tognetti , Laurent Joubert , B. Herrera , et al. Physical Chemistry Chemical Physics, 2015, 17 (27), pp.17797-17808. ⟨10.1039/c5cp01515d⟩ Article dans une revue hal-02046153v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the influence of density functional approximations on some local Bader's atoms-in-molecules properties. Vincent Tognetti , Laurent Joubert Journal of Physical Chemistry A, 2011, 115 (21), pp.5505-5515. ⟨10.1021/jp2031384⟩ Article dans une revue hal-00991614v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Characterization of β-turns by electronic circular dichroism spectroscopy: A coupled molecular dynamics and time-dependent density functional theory computational study Mattia Migliore , Andrea Bonvicini , Vincent Tognetti , Laure Guilhaudis , Marc Baaden , et al. Physical Chemistry Chemical Physics, 2020, 22 (3), pp.1611-1623. ⟨10.1039/C9CP05776E⟩ Article dans une revue hal-02397135v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Understanding Chemical Selectivity through Well Selected Excited States Frédéric Guégan , T. Pigeon , F. de Proft , Vincent Tognetti , Laurent Joubert , et al. Journal of Physical Chemistry A, 2020, 124 (4), pp.633-641. ⟨10.1021/acs.jpca.9b09978⟩ Article dans une revue hal-02472987v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Metalloenzyme‐Mediated Thiol‐Yne Addition Towards Photoisomerizable Fluorescent Dyes Alexis Lossouarn , Chloé Puteaux , Laetitia Bailly , Vincent Tognetti , Laurent Joubert , et al. Chemistry - A European Journal, In press, ⟨10.1002/chem.202202180⟩ Article dans une revue hal-03808088v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms Guillaume Fayet , Patricia Rotureau , Laurent Joubert , Carlo Adamo Journal of Molecular Modeling, 2011, 17 (10), pp.2443-2453. ⟨10.1007/s00894-010-0908-0⟩ Article dans une revue istex ineris-00961762v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A theoretical study of the decomposition mechanisms in substituted o-Nitrotoluenes Guillaume Fayet , Laurent Joubert , Patricia Rotureau , Carlo Adamo Journal of Physical Chemistry A, 2009, 113 (48), pp.13621-13627. ⟨10.1021/jp905979w⟩ Article dans une revue ineris-00963204v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A DFT study of the Al₂Cl₆-catalyzed Friedel-Crafts acylation of phenyl aromatic compounds Sigismund T.A.G. Melissen , Vincent Tognetti , Georges Dupas , Julien Jouanneau , Guillaume Lê , et al. Journal of Molecular Modeling, 2013, 19 (11), pp.4947-4958. ⟨10.1007/s00894-013-1984-8⟩ Article dans une revue istex hal-00996442v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Evaluating Charge Transfer in Epicocconone Analogues: Toward a Targeted Design of Fluorophores

Unraveling Charge Transfer Processes with the Quantum Theory of Atoms-in-Molecules

Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?

New polar-embedded aromatic stationary phases for HPLC

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

Following Halogen Bonds Formation with Bader's Atoms-in-Molecules Theory

Implementation of CDFT and QTAIM tools for reactivity and bonding analysis (part I)

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

Predicting explosibility properties of chemicals from quantitative structure-property relationships

Toward a Combined DFT/QTAIM Description of Agostic Bonds: The Critical Case of a Nb(III) Complex

A DFT study of the formation of xanthydrol motifs during electrophilic poly(aryl ether ketone) synthesis

New 1H and 19F NMR experiments applied to conformational analysis of fluorinated carbohydrates

Anthracenyl polar embedded stationary phases with enhanced aromatic selectivity. Part II: A density functional theory study

Metal-Free Decarboxylative Hetero-Diels-Alder Synthesis of 3-Hydroxypyridines: A Rapid Access to N-Fused Bicyclic Hydroxypiperidine Scaffolds.

Catalytic Enantioselective Cyclopropanation of α-Fluoroacrylates: An Experimental and Theoretical Study

Synthesis of SF5-substituted isoxazolidines using 1,3-dipolar cycloaddition reactions of nitrones with pentaﬂuorosulfanyl acrylic esters and amides

Palladium-Catalyzed Synthesis of 3-Trifluoromethyl-Substituted 1,3-Butadienes by Means of Directed C-H Bond Functionalization

Differentiation of gonyautoxins by ion mobility-mass spectrometry: A cationization study

Revisiting absorption and electronic circular dichroism spectra of cholesterol in solution: A joint experimental and theoretical study

A proposal for an extended dual descriptor: a possible solution when Frontier Molecular Orbital Theory fails.

New polar-embedded aromatic stationary phases for HPLC

On the physical role of exchange in the formation of an intramolecular bond path between two electronegative atoms.

Atomic decomposition of conceptual DFT descriptors: Application to proton transfer reactions

On the influence of density functional approximations on some local Bader's atoms-in-molecules properties.

Characterization of β-turns by electronic circular dichroism spectroscopy: A coupled molecular dynamics and time-dependent density functional theory computational study

Understanding Chemical Selectivity through Well Selected Excited States

Metalloenzyme‐Mediated Thiol‐Yne Addition Towards Photoisomerizable Fluorescent Dyes

Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms

A theoretical study of the decomposition mechanisms in substituted o-Nitrotoluenes

A DFT study of the Al₂Cl₆-catalyzed Friedel-Crafts acylation of phenyl aromatic compounds