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Les 131 publications de CTOM

Format: 2021
Reference Résumé graphique HAL

Visualizing electron delocalization in contorted polycyclic aromatic hydrocarbons

Albert Artigas, Yannick Carissan, Denis Hagebaum-Reignier, Yoann Coquerel, Chemical Science, 2021. <hal-03340162>

The Bruylants and related reactions

Jean-Marc Mattalia, Jean-Marc Robert Mattalia, ARKIVOC - Online Journal of Organic Chemistry, 2021, 2021, 1-19. <hal-03225378>

Rationalization of chirality transfer and fast conformational changes in a tris(2-pyridylmethyl) amine-based cage †

Gege Qiu, Djamel Khatmi, Alexandre Martinez, Paola Nava, RSC Advances, 2021. <hal-03196895>

A tris(benzyltriazolemethyl)amine-based cage as a CuAAC ligand tolerant to exogeneous bulky nucleophiles

Gege Qiu, Paola Nava, Alexandre Martinez, Cédric Colomban, Chemical Communications, 2021, 57, 2281-2284. <hal-03175776>

A zero dimensional hybrid organic-inorganic perovskite CuCl 4 based: Synthesis, crystal structure, vibrational, optical properties, DFT and TDFT calculations, dielectric properties and biological activity

Aroussia Hachani, Imen Dridi, Abdelhak Othmani, Thierry Roisnel, Humbel Stéphane, Kefi Riadh, Journal of Molecular Structure, 2021, 1229, 129838. <hal-03105659>

C 1 ‐Symmetric Atropisomeric NHC Palladium(II) Complexes: Synthesis, Resolution and Characterization

Lingyu Kong, Yajie Chou, Marion Jean, Muriel Albalat, Nicolas Vanthuyne, Paola Nava, Stéphane Humbel, Hervé Clavier, Advanced Synthesis and Catalysis, 2021, 363, 4229-4238. <hal-03338494>

Control and Transfer of Chirality Within Well-Defined Tripodal Supramolecular Cages

Gege Qiu, Paola Nava, Cédric Colomban, Alexandre Martinez, Frontiers in Chemistry, 2020, 8. <hal-03153583>

Simultaneous Control of Central and Helical Chiralities: Expedient Helicoselective Synthesis of Dioxa[6]helicenes

Peng Liu, Xiaoze Bao, Jean-Valère Naubron, Sara Chentouf, Stéphane Humbel, Nicolas Vanthuyne, Marion Jean, Laurent Giordano, Jean Rodriguez, Damien Bonne, Journal of the American Chemical Society, 2020, 142, 16199-16204. <hal-02953766>

Pseudopotential‐fragment spectroscopy for organic molecules and carbon allotropes

Alexander Punter, Paola Nava, Yannick Carissan, International Journal of Quantum Chemistry, 2020, 120. <hal-02980288>

Inverted Vibrational and Rotational Excitation of CN(B 2 Σ + ) Produced through Superexcited Ion-Pair States of MCN (M = Na, K, Rb)

Hisato Yasumatsu, Gwang-Hi Jeung, Journal of Physical Chemistry A, 2020, 124, 2741-2745. <hal-03164863>

Stereoselective Syntheses, Structures and Properties of Extremely Distorted Chiral Nanographenes Embedding Hextuple Helicenes

Myriam Roy, Veronika Berezhnaia, Marco Villa, Nicolas Vanthuyne, Michel Giorgi, Jean- Valère Naubron, Salomé Poyer, Valérie Monnier, Laurence Charles, Yannick Carissan, Denis Hagebaum-Reignier, Jean Rodriguez, Marc Gingras, Yoann Coquerel, Angewandte Chemie International Edition, 2020, 59, 3264-3271. <hal-03064338>

Computational studies of Ni(II) photosensitizers complexes containing 1,1′-bis(diphenylphosphino)ferrocene and dithio ligands

Sefia Brahim, Houari Brahim, Stéphane Humbel, Ali Rahmouni, Canadian Journal of Chemistry, 2020, 94, 194-203. <hal-02512291>

From Prochiral N-Heterocyclic Carbenes to Optically Pure Metal Complexes New Opportunities in Asymmetric Catalysis

Lingyu Kong, Jennifer Morvan, Delphine Pichon, Marion Jean, Muriel Albalat, Thomas Vives, Sophie Colombel-Rouen, Michel Giorgi, Vincent Dorcet, Thierry Roisnel, Christophe Crévisy, Didier Nuel, Paola Nava, Stéphane Humbel, Nicolas Vanthuyne, Marc Mauduit, Hervé Clavier, Journal of the American Chemical Society, 2020, 142, 93-98. <hal-02442228>

Binding kinetics calculations of the inclusion of some benzoic acid derivatives and paracetamol in β CD

Djamel Khatmi, Belgacem Bezzina, Stéphane Humbel, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2020, 96, 373–379. <hal-02922032>

Periselectivity in the aza-Diels–Alder Cycloaddition between α-Oxoketenes and N -(5-Pyrazolyl)imines: A Combined Experimental and Theoretical Study

Juan-Carlos Castillo, Brian Castro Agudelo, Jaime Gálvez, Yannick Carissan, Jean Rodriguez, Yoann Coquerel, Journal of Organic Chemistry, 2020, 85, 7368-7377. <hal-02990649>

Investigation of the rhodium-catalyzed hydroboration of NHC-boranes: the role of alkene coordination and the origin of enantioselectivity †

Paola Nava, Momar Toure, Amel Mohamed, Jean-Luc Parrain, Olivier Chuzel, Dalton Transactions, 2019, 48, 17605 - 17611. <hal-02395349>

When cobalt-mediated [2 + 2 + 2] cycloaddition reaction dares go astray: synthesis of unprecedented cobalt( iii )-complexes

Marion Delorme, Alexander Punter, Raquel Oliveira, Corinne Aubert, Yannick Carissan, Jean-Luc Parrain, Muriel Amatore, Paola Nava, Laurent Commeiras, Dalton Transactions, 2019, 48, 15767-15771. <hal-02354762>

Cyclobishelicenes: shape-persistent figure-eight aromatic molecules with promising chiroptical properties

Antoine Robert, Guillaume Naulet, Harald Bock, Nicolas Vanthuyne, Marion Jean, Michel Giorgi, Yannick Carissan, Christie Aroulanda, Antoine Scalabre, Emilie Pouget, Fabien Durola, Yoann Coquerel, Chemistry - A European Journal, 2019, 25, 14364-14369. <hal-02265747>

Highly diastereoselective preparation of chiral NHC-boranes stereogenic at the boron atom

Clara Aupic, Amel Abdou Mohamed, Carlotta Figliola, Paola Nava, Beátrice Tuccio, Gaëlle Chouraqui, Jean-Luc Parrain, Olivier Chuzel, Chemical Science, 2019, 10, 6524-6530. <hal-02149393>

Atomic pseudopotentials for reproducing π-orbital electron behavior in sp 2 carbon atoms

Alexander Punter, Paola Nava, Yannick Carissan, International Journal of Quantum Chemistry, 2019, e25914. <hal-02048996>

Experimental and theoretical studies of (4 + 1) annulations between α‐oxoketenes and stable phosphorous, nitrogen, or sulfur ylides

David Pierrot, Michel Rajzmann, Yannick Carissan, Jean Rodriguez, Damien Bonne, Yoann Coquerel, Journal of Physical Organic Chemistry, 2019, e3939. <hal-02059903>

Full-Dimensional Ab Initio Potential Energy Surface and Vibrational Energy Levels of Li2H

Michiko Ahn Furudate, Denis Hagebaum-Reignier, Gwang-Hi Jeung, Molecules, 2019, 24, 26. <hal-01988672>

Theoretical chemical ionization rate constants of the concurrent reactions of hydronium ions (H 3 O + ) and oxygen ions (O 2+) with selected organic iodides

Rafal Strekowski, Coralie Alvarez, Jeanne Petrov-Stojanović, Denis Hagebaum-Reignier, Henri Wortham, Journal of Mass Spectrometry, 2019, 54, 422-428. <hal-02155671>

C-C Bond Breaking in Addition-Elimination Reactions on Nitriles

Jean-Marc Mattalia, Paola Nava, European Journal of Organic Chemistry, 2019, 2019, 2621-2628. <hal-02125621>

Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket

Michiko Ahn Furudate, Seungyon Cho, Denis Hagebaum-Reignier, Fusion Engineering and Design, 2018, 136, 438-441. <hal-01988705>

Predicted Gas-Phase and Liquid-Phase Acidities of Carborane Carboxylic and Dicarboxylic Acids

Josep Oliva-Enrich, Stéphane Humbel, J. Arturo Santaballa, Ibon Alkorta, Rafael Notario, Juan Dávalos, Moisés Canle-L, Eduard Bernhardt, Josef Holub, Drahomír Hnyk, ChemistrySelect, 2018, 3, 4344 - 4353. <hal-01790222>

Computational insights about the dynamic behavior for the inclusion process of deprotonated and neutral aspirin in beta-cyclodextrin

Belgacem Bezzina, Rayenne Djémil, Djamel Eddine Khatmi, Stéphane Humbel, Yannick Carissan, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 2018, 92, 115-127. <hal-02168191>

Proton affinities of amino group functionalizing 2D and 3D boron compounds

Josep Oliva-Enrich, Stéphane Humbel, Juan Dávalos, Josef Holub, Drahomír Hnyk, Afinidad, 2018, 75, 260-266. <hal-02138836>

Metal-catalyzed rearrangement of allenylsulfides to furan: A theoretical mechanistic approach

Michel Rajzmann, Jianbo Wang, Stéphane Humbel, Journal of Molecular Catalysis, 2017, 443, 148 - 154. <hal-01629621>

A generalized Brillouin theorem (GBT)-like implementation to optimize Valence Bond wave function for excited states

Julien Racine, Yannick Carissan, Denis Hagebaum-Reignier, Stéphane Humbel, Computational and Theoretical Chemistry, 2017, 1116, 184 - 189. <hal-01469404>