Thomas Cauchy

Assistant Professor in Computational Chemistry at the University of Angers in the MOLTECH-Anjou lab.

Documents

Présentation

Publications

	Definition and exploration of realistic chemical spaces using the connectivity and cyclic features of ChEMBL and ZINC Thomas Cauchy , Jules Leguy , Benoit da Mota Digital Discovery, 2023, 2 (3), pp.736-747. ⟨10.1039/D2DD00092J⟩ Article dans une revue hal-04241464v2
	Dimerization reactions with oxidized brominated thiophenes Khaled Youssef , Magali Allain , Thomas Cauchy , Frédéric Gohier New Journal of Chemistry, 2023, 47 (15), pp.7375-7380. ⟨10.1039/D3NJ00029J⟩ Article dans une revue hal-04240791v1
	Tuning the photophysical and chiroptical properties of [4]helicene‐diketopyrrolopyrroles Maurizio Mastropasqua Talamo , Thomas Cauchy , Francesco Zinna , Flavia Pop , Narcis Avarvari Chirality, 2023, 35 (11), pp.805-816. ⟨10.1002/chir.23593⟩ Article dans une revue hal-04286380v1
	Chiral diketopyrrolopyrrole dyes showing light emission in solid and aggregate states Maurizio Mastropasqua Talamo , Thomas Cauchy , Flavia Pop , Francesco Zinna , Lorenzo Di Bari Journal of Materials Chemistry C, 2023, 11 (17), pp.5701-5713. ⟨10.1039/D3TC00308F⟩ Article dans une revue hal-04240759v1
	Benzothiadiazolyl‐pyridine and ‐2,2′‐bipyridine Ligands for Luminescent and Magnetic Complexes Nataliya Plyuta , Thomas Cauchy , Miguel Julve , Narcis Avarvari European Journal of Inorganic Chemistry, 2023, pp.e202300513. ⟨10.1002/ejic.202300513⟩ Article dans une revue hal-04241474v1
	bay -Dissymmetrical hetero- and Aza-Benzannulated PeryleneDiimides as new n-type semiconductors Antoine Goujon , Lou Rocard , Hayley Melville , Thomas Cauchy , Clément Cabanetos Journal of Materials Chemistry C, 2022, 10 (40), pp.14939-14945. ⟨10.1039/D2TC02999E⟩ Article dans une revue hal-03979969v1
	Zinc(II) and copper(II) complexes with benzothiadiazole Schiff-base ligands † Nataliya Plyuta , Thomas Cauchy , Andreas Hauser , Francesc Lloret , Miguel Julve Polyhedron, 2022, 224, pp.115994. ⟨10.1016/j.poly.2022.115994⟩ Article dans une revue hal-03855098v1
	Highly Reactive Diazenyl Radical Species Evidenced during Aryldiazonium Electroreduction Laure Pichereau , Laure Fillaud , Nikolaos Kostopoulos , Emmanuel Maisonhaute , Thomas Cauchy Journal of Physical Chemistry Letters, 2022, 13 (51), pp.11866-11871. ⟨10.1021/acs.jpclett.2c03089⟩ Article dans une revue hal-04303155v2
	Field-induced mononuclear cobalt(II) single-molecule magnet (SMM) based on a benzothiadiazole-ortho-vanillin ligand † Nataliya Plyuta , Svitlana Petrusenko , Vladimir N Kokozay , Thomas Cauchy , Francesc Lloret Dalton Transactions, 2022, 51 (12), pp.4760-4771. ⟨10.1039/D1DT04274B⟩ Article dans une revue hal-03855033v1
	Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes Nabil Mroweh , Thomas Cauchy , Nicolas Vanthuyne , Narcis Avarvari CrystEngComm, 2022, 24 (35), pp.6187-6197. ⟨10.1039/D2CE00857B⟩ Article dans une revue hal-03855125v1
	Chiroptical properties of anionic and neutral nickel(II) bis(dithiolene) complexes based on methyl and dimethyl‐dddt ligands Alexandre Abhervé , Nabil Mroweh , Thomas Cauchy , Flavia Pop , Nicolas Vanthuyne Chirality, 2022, 34, pp.4-12. ⟨10.1002/chir.23375⟩ Article dans une revue hal-03452632v1
	Configurationally stable dithia[7]helicene and dithia-quasi[8]circulene fused dithiolones Maxime Baudillon , Thomas Cauchy , Nicolas Vanthuyne , Narcis Avarvari , Flavia Pop Organic Chemistry Frontiers, 2022, 9 (16), pp.4260-4270. ⟨10.1039/D2QO00921H⟩ Article dans une revue hal-03781234v2
	Reactivity and Mechanistic Issues in the Photocyclization of Dihalostyryl‐Naphthalenes towards Halo‐[4]helicenes: A Transposition on a Mallory Theme Kévin Martin , Caroline Melan , Thomas Cauchy , Narcis Avarvari ChemPhotoChem, 2021, ⟨10.1002/cptc.202100215⟩ Article dans une revue hal-03452633v1
	Dimensionality Control in Crystalline Zinc(II) and Silver(I) Complexes with Ditopic Benzothiadiazole-Dipyridine Ligands Teodora Mocanu , Nataliya Plyuta , Thomas Cauchy , Marius Andruh , Narcis Avarvari Chemistry, 2021, 3 (1), pp.269-287. ⟨10.3390/chemistry3010020⟩ Article dans une revue hal-03452220v1
	Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization Jules Leguy , Marta Glavatskikh , Thomas Cauchy , Benoit da Mota Journal of Cheminformatics, 2021, 13 (1), pp.76. ⟨10.1186/s13321-021-00554-8⟩ Article dans une revue hal-04033836v1
	Schiff-base [4]helicene Zn( ii ) complexes as chiral emitters Mariia Savchuk , Steven Vertueux , Thomas Cauchy , Matthieu Loumaigne , Francesco Zinna Dalton Transactions, 2021, 50 (30), pp.10533-10539. ⟨10.1039/d1dt01752g⟩ Article dans une revue hal-03452260v1
	Conducting chiral nickel( ii ) bis(dithiolene) complexes: structural and electron transport modulation with the charge and the number of stereogenic centres Alexandre Abhervé , Nabil Mroweh , Thomas Cauchy , Flavia Pop , Hengbo Cui Journal of Materials Chemistry C, 2021, 9 (12), pp.4119-4140. ⟨10.1039/D1TC00439E⟩ Article dans une revue hal-03452227v1
	EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation Jules Leguy , Thomas Cauchy , Marta Glavatskikh , Béatrice Duval , Benoit da Mota Journal of Cheminformatics, 2020, 12 (1), ⟨10.1186/s13321-020-00458-z⟩ Article dans une revue hal-02946012v1
	An Imine Photocyclization as an Alternative to the Pictet–Spengler Reaction for the Synthesis of AzaBenzannulated Perylenediimide Dyes Antoine Goujon , Lou Rocard , Thomas Cauchy , Piétrick Hudhomme Journal of Organic Chemistry, 2020, ⟨10.1021/acs.joc.0c00600⟩ Article dans une revue hal-02644780v1
	Visible-Light-Mediated Synthesis of AzaBenzannulated Perylenediimide-Based Light-Harvesting Dyads Rayane El-Berjawi , Lou Rocard , Antoine Goujon , Thomas Cauchy , Piétrick Hudhomme Journal of Organic Chemistry, 2020, 85 (19), pp.12252-12261. ⟨10.1021/acs.joc.0c01497⟩ Article dans une revue hal-03084678v1
	Desymmetrization of Perylenediimide Bay Regions Using Selective Suzuki–Miyaura Reactions from Dinitro Substituted Derivatives Mariia Hruzd , Lou Rocard , Antoine Goujon , Magali Allain , Thomas Cauchy Chemistry - A European Journal, 2020, 26 (68), pp.15881-15891. ⟨10.1002/chem.202003420⟩ Article dans une revue hal-03084676v1
	Original Suzuki-Miyaura Coupling Using Nitro Derivatives for the Synthesis of Perylenediimide-Based Multimers Lou Rocard , Danylo Hatych , Thomas Chartier , Thomas Cauchy , Piétrick Hudhomme European Journal of Organic Chemistry, 2019, 2019 (47), pp.7635-7643. ⟨10.1002/ejoc.201901319⟩ Article dans une revue hal-02785957v1
	Solvent Dependent Prototropic Tautomerism in a Schiff Base Derived from o ‐Vanillin and 2‐Aminobenzylalcohol Nataliya Plyuta , Vladimir Kokozay , Thomas Cauchy , Narcis Avarvari , Evgeny Goreshnik ChemistrySelect, 2019, 4 (27), pp.7858-7865. ⟨10.1002/slct.201902118⟩ Article dans une revue hal-02357059v1
	Dataset’s chemical diversity limits the generalizability of machine learning predictions Marta Glavatskikh , Jules Leguy , Gilles Hunault , Thomas Cauchy , Benoit da Mota Journal of Cheminformatics, 2019, 11 (1), ⟨10.1186/s13321-019-0391-2⟩ Article dans une revue hal-02644756v1
	Prediction of the Synthesis of Spiro Derivatives by Double Intramolecular Aromatic Electrophilic Substitution Using Reactivity Indices Clément Dalinot , Victorien Jeux , Lionel Sanguinet , Thomas Cauchy , Magali Allain ACS Omega, 2019, 4 (3), pp.4571-4583. ⟨10.1021/acsomega.8b03368⟩ Article dans une revue hal-02467135v1
	H-Mediated Magnetic Interactions between Layers in a 2D Mn II -Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations Béatrice Gillon , Albert Hammerschmied , Arsen Gukasov , Alain Cousson , Thomas Cauchy European Journal of Inorganic Chemistry, 2018, 2018 (3-4), pp.278-288. ⟨10.1002/ejic.201700971⟩ Article dans une revue hal-02888967v1
	Tetrathiafulvalene-[2.2]paracyclophanes: Synthesis, crystal structures, and chiroptical properties Cécile Mézière , Magali Allain , Cristina Oliveras-Gonzalez , Thomas Cauchy , Nicolas Vanthuyne Chirality, 2018, Proceedings 16th International Conference on Chiroptical Spectroscopy, Rennes France 2017, 30 (5), pp.568-575. ⟨10.1002/chir.22831⟩ Article dans une revue hal-02092308v1
	Conformational Study and Chiroptical Properties of Chiral Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF) Thomas Cauchy , Flavia Pop , Jérôme Cuny , Narcis Avarvari CHIMIA, 2018, 72 (6), pp.389-393. ⟨10.2533/chimia.2018.389⟩ Article dans une revue hal-02044126v1
	Triplet state CPL active helicene-dithiolene platinum bipyridine complexes Thomas Biet , Thomas Cauchy , Qinchao Sun , Jie Ding , Andreas Hauser Chemical Communications, 2017, 53 (66), pp.9210-9213. ⟨10.1039/c7cc05198k⟩ Article dans une revue hal-01579651v1
	Electrode grafting by oxidation of an amine catalyzed by a ferrocenyl “antenna” through intramolecular electron transfer Ewen Touzé , Sylvie Dabos-Seignon , Thomas Cauchy , Frédéric Gohier , Charles Cougnon Electrochemistry Communications, 2017, 82, pp.52-55. ⟨10.1016/j.elecom.2017.07.021⟩ Article dans une revue hal-02363087v1
	Lepidotols and lepidotins: new phenylcoumarins from Malaysian Mesua species C. Rouger , S. Derbré , Thomas Cauchy , M. Litaudon , K Awang Planta Medica, 2015, 81 (16), ⟨10.1055/S-0035-1565501⟩ Article dans une revue hal-02888972v1
	Lepidotol A from Mesua lepidota inhibits inflammatory and immune mediators in human endothelial cells Caroline Rouger , Séverine Derbré , Béatrice Charreau , Angélique Pabois , Thomas Cauchy Journal of natural products, 2015, 78 (9), pp.2187-2197. ⟨10.1021/acs.jnatprod.5b00222⟩ Article dans une revue hal-01391725v1
	Tetrathiafulvalene-Based Phenanthroline Ligands: Synthesis, Crystal Structures, and Electronic Properties Esmah Belhadj , Abdelkrim El-Ghayoury , Thomas Cauchy , Magali Allain , Miloud Mazari European Journal of Inorganic Chemistry, 2014, 2014 (24), pp.3912-3919. ⟨10.1002/ejic.201402073⟩ Article dans une revue hal-02888978v1
	Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands Matteo Atzori , Flavia Pop , Thomas Cauchy , Maria Laura Mercuri , Narcis Avarvari Organic & Biomolecular Chemistry, 2014, 12 (43), pp.8752-8763. ⟨10.1039/C4OB01582G⟩ Article dans une revue hal-03084640v1
	Vibronic spectra of organic electronic chromophores Azzam Charaf-Eddin , Thomas Cauchy , Francois-Xavier Felpin , Denis Jacquemin RSC Advances, 2014, 4 (98), pp.55466-55472. ⟨10.1039/c4ra10731d⟩ Article dans une revue hal-02142373v1
	Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor–Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations Flavia Pop , François Riobé , Sabine Seifert , Thomas Cauchy , Jie Ding Bioinorganic chemistry, 2013, 52 (9), pp.5023. ⟨10.1021/ic3027336⟩ Article dans une revue hal-01114108v1
	Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations Cyprien Lemouchi , Konstantinos Iliopoulos , Leokadiya Zorina , Sergey Simonov , Pawel Wzietek Journal of the American Chemical Society, 2013, 135 (25), pp.9366-9376. ⟨10.1021/ja4044517⟩ Article dans une revue hal-03084635v1
	A Series of Tetrathiafulvalene-based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence. Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue Fabrice Pointillart , Boris Le Guennic , T. Cauchy , Stéphane Golhen , Olivier Cador Inorganic Chemistry, 2013, 52, pp.5978-5990. ⟨10.1021/ic400253m⟩ Article dans une revue hal-00839882v1
	Ethylenedithio--Tetrathiafulvalene--Helicenes: Electroactive Helical Precursors with Switchable Chiroptical Properties Thomas Biet , Arnaud Fihey , Thomas Cauchy , Nicolas Vanthuyne , Christian Roussel Chemistry - A European Journal, 2013, 19 (39), pp.13160-13167. ⟨10.1002/chem.201301095⟩ Article dans une revue hal-01086724v1
	Tetramethyl-Bis(ethylenedithio)-Tetrathiafulvalene (TM-BEDT-TTF) Revisited: Crystal Structures, Chiroptical Properties, Theoretical Calculations, and a Complete Series of Conducting Radical Cation Salts Flavia Pop , S. Laroussi , Thomas Cauchy , Carlos Gómez-García , John-D. Wallis Chirality, 2013, 25 (8), pp.466-474. ⟨10.1002/chir.22210⟩ Article dans une revue hal-01390657v1
	Bimetallic neutral palladium (II) bis(dithiolene) complex: Unusual synthesis, structural and theoretical study Flavia Pop , Diana-G. Branzea , Thomas Cauchy , Narcis Avarvari Comptes Rendus. Chimie, 2012, 15 (10), pp.904-910. ⟨10.1016/j.crci.2012.03.007⟩ Article dans une revue hal-03344539v1
	In solution sensitization of Er(III) luminescence by the 4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl antenna ligand Fabrice Pointillart , Adrien Bourdolle , Thomas Cauchy , Olivier Maury , Yann Le Gal Inorganic Chemistry, 2012, 51 (2), pp.978-84. ⟨10.1021/ic202045a⟩ Article dans une revue hal-00836834v1
	Electroactive Tetrathiafulvalenyl-1,2,3-triazoles by Click Chemistry: Cu- versus Ru-Catalyzed Azide-Alkyne Cycloaddition Isomers Thomas Biet , Thomas Cauchy , Narcis Avarvari Chemistry - A European Journal, 2012, 18 (50), pp.16097-16103. ⟨10.1002/chem.201201905⟩ Article dans une revue hal-01390637v1
	Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study Diana Branzea , Arnaud Fihey , Thomas Cauchy , Abdelkrim El-Ghayoury , Narcis Avarvari Inorganic Chemistry, 2012, 51 (15), pp.8545-8556. ⟨10.1021/ic301117h⟩ Article dans une revue hal-03084629v1
	Tristhienylphenylamine – extended dithiafulvene hybrids as bifunctional electroactive species Emilie Ripaud , Philippe Leriche , Nicolas Cocherel , Thomas Cauchy , Pierre Frère Organic & Biomolecular Chemistry, 2011, 9 (4), pp.1034-1040. ⟨10.1039/c0ob00471e⟩ Article dans une revue hal-03084626v1
	Manipulation of the Open-Circuit Voltage of Organic Solar Cells by Desymmetrization of the Structure of Acceptor-Donor-Acceptor Molecules Dora Demeter , Theodulf Rousseau , Philippe Leriche , Thomas Cauchy , Riccardo Po Advanced Functional Materials, 2011, 21 (22), pp.4379-4387. ⟨10.1002/adfm.201101508⟩ Article dans une revue hal-03084624v1
	Synthesis, Molecular Structure, Properties, and Electronic Structures of [Cp(dppe)FeC≡C-TTFMe3][PF6]n (n = 0, 1): Electronic Coupling between the Inorganic and Organic Electrophores Akira Miyazaki , Yoshiyuki Ogyu , Frédéric Justaud , Lahcène Ouahab , Thomas Cauchy Organometallics, 2010, 29 (20), pp.4628-4638. ⟨10.1021/om100763x⟩ Article dans une revue hal-00860881v1*
	Experimental and Theoretical Studies on Photophysical Properties: Tuning Redox-Active Amido-Tetrathiafulvalene Derivatives in Paramagnetic Coordination Complexes Fabrice Pointillart , Thomas Cauchy , Yann Le Gal , Stéphane Golhen , Olivier Cador Inorganic Chemistry, 2010, 49 (4), pp.1947-1960. ⟨10.1021/ic9023426⟩ Article dans une revue hal-00917078v1
	Radical CpNi(dithiolene) and CpNi(diselenolene) complexes:Synthetic rooutes and molecular properties Mitsushiro Nomura , Thomas Cauchy , Marc Fourmigué Coordination Chemistry Reviews, 2010, 254 (13-14), pp.1406-1418. ⟨10.1016/j.ccr.2009.11.010⟩ Article dans une revue hal-00502089v1
	Extended Fe4 butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps Silvia Gomez-Coca , Thomas Cauchy , Eliseo Ruiz Dalton Transactions, 2010, 39 (20), pp.4832. ⟨10.1039/B925699G⟩ Article dans une revue hal-03084618v1
	Tetrathiafulvalene-amido-2-pyridine-N-oxide as efficient charge-transfer antenna ligand for the sensitization of Yb(III) luminescence in a series of lanthanide paramagnetic coordination complexes Fabrice Pointillart , Thomas Cauchy , Olivier Maury , Yann Le Gal , Stéphane Golhen Chemistry - A European Journal, 2010, 16, pp.11926--41. ⟨10.1002/chem.201001450⟩ Article dans une revue hal-01151359v1
	Binuclear Cu(II) coordination complex involving cis-tetrathiafulvalene-bis-amido-2-pyridine-N-oxide as bi-anionic ligand: a robust molecular precursor toward magnetic conducting materials. Fabrice Pointillart , Thomas Cauchy , Yann Le Gal , Stéphane Golhen , Olivier Cador Chemical Communications, 2010, 46, pp.4947--4949. ⟨10.1039/c0cc00672f⟩ Article dans une revue hal-01151347v1
	Can theoretical methods go beyond the experimental data? The case of molecular magnetism. Eduard Cremades , Thomas Cauchy , Joan Cano , Eliseo Ruiz Dalton Transactions, 2009, 30, pp.5873-8. ⟨10.1039/b902745a⟩ Article dans une revue hal-00861581v1
	Experimental and theoretical evaluation of magnetic coupling in organometallic radicals: the eloquent case of face-to-face CpCp interactions Marc Fourmigué , Thomas Cauchy , Mitsushiro Nomura CrystEngComm, 2009, 11 (8), pp.1491-1501. ⟨10.1039/b823200h⟩ Article dans une revue hal-00405775v1
	Exchange interactions in a Fe5 complex: A theoretical study using density functional theory Thomas Cauchy , Eliseo Ruiz , Santiago Alvarez Inorganica Chimica Acta Reviews, 2008, 361 (14-15), pp.3832-3835. ⟨10.1016/j.ica.2008.02.011⟩ Article dans une revue hal-03084560v1
	On the origin of ferromagnetism in oximato-based [Mn 3 O] 7+ triangles Joan Cano , Thomas Cauchy , Eliseo Ruiz , Constantinos Milios , Constantinos Stoumpos Dalton Transactions, 2008, 2, pp.234-240. ⟨10.1039/b710055h⟩ Article dans une revue hal-03084522v1
	Ferromagnetic Interactions in Heterobimetallic Chains Formed through the Secondary Coordination of Dithiolene Complexes Olivier Jeannin , Rodolphe Clérac , Thomas Cauchy , Marc Fourmigué Inorganic Chemistry, 2008, 47 (22), pp.10656-10661. ⟨10.1021/ic801343b⟩ Article dans une revue hal-00344385v1
	Global fits of new intermolecular ground state potential energy surfaces for N2-H2 and N2-N2 van der Waals dimers Laura Gómez , Béatrice Bussery-Honvault , Thomas Cauchy , Massimiliano Bartolomei , David Cappelletti Chemical Physics Letters, 2007, 445 (4-6), pp.99-107. ⟨10.1016/j.cplett.2007.07.053⟩ Article dans une revue hal-00186005v1
	Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers L. Gomez , B. Bussery-Honvault , T. Cauchy , M. Bartolomei , D. Cappelletti Chemical Physics Letters, 2007, 445 (4-6), pp.99-107. ⟨10.1016/j.cplett.2007.07.053⟩ Article dans une revue hal-03084506v1
	Strong magnetic interactions through weak bonding interactions in organometallic radicals: combined experimental and theoretical study. Thomas Cauchy , Eliseo Ruiz , Olivier Jeannin , Mitsushiro Nomura , Marc Fourmigué Chemistry - A European Journal, 2007, 13 (31), pp.8858-66. ⟨10.1002/chem.200700081⟩ Article dans une revue hal-00189178v1
	Molecules Composed of Two Weakly Magnetically Coupled [MnIII 4] Clusters E. Carolina Sanudo , Thomas Cauchy , Eliseo Ruiz , Rebecca H. Laye , Olivier Roubeau Inorganic Chemistry, 2007, 46, pp. 9045-9047. ⟨10.1021/ic701467y⟩ Article dans une revue hal-00696162v1
	[CpNi(dithiolene)] (and diselenolene) neutral radical complexes. Mitsushiro Nomura , Thomas Cauchy , Michel Geoffroy , Prashant Adkine , Marc Fourmigué Inorganic Chemistry, 2006, 45 (20), pp.8194-204. ⟨10.1021/ic0608546⟩ Article dans une revue hal-00256337v1
	Magnetostructural Correlations in Polynuclear Complexes: The Fe 4 Butterflies Thomas Cauchy , Eliseo Ruiz , Santiago Alvarez Journal of the American Chemical Society, 2006, 128 (49), pp.15722-15727. ⟨10.1021/ja0641498⟩ Article dans une revue hal-02644830v1
	Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory Thomas Cauchy , Eliseo Ruiz , Santiago Alvarez Physica B: Condensed Matter, 2006, 384 (1-2), pp.116-119. ⟨10.1016/j.physb.2006.05.167⟩ Article dans une revue hal-02644844v1
	Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches Eliseo Ruiz , Antonio Rodríguez-Fortea , Javier Tercero , Thomas Cauchy , Carlo Massobrio Journal of Chemical Physics, 2005, 123 (7), pp.074102. ⟨10.1063/1.1999631⟩ Article dans une revue hal-02644823v1

	Surface modification using diazonium electrografting : evidence for a stepwise mechanism involving highly reactive diazenyl radicals. Laure Picheteau , Laure Fillaud , Nikolaos Kostopoulos , Emmanuel Maisonhaute , Thomas Cauchy 35th Topical Meeting of the International Society of Electrochemistry (ISE), ISE, May 2023, Gold Coast, Australia Communication dans un congrès hal-04129232v1
	Génération d'explications contre-factuelles pour la chimie moléculaire Jules Leguy , Bryan Garreau , Thomas Cauchy , Béatrice Duval , Benoit da Mota Workshop EXPLAIN'AI hosted at EGC 2022, Jan 2022, Blois, France Communication dans un congrès hal-04034150v1
	De novo generation of organic molecular materials Thomas Cauchy JTMS 2021 : Journées "Théorie, Modélisation et Simulation", Dec 2021, Rennes, France Communication dans un congrès hal-03865500v1
	Electron density differences, as computed by TD-DFT, to facilitate the study of UV-visible absorption and emission properties Thomas Cauchy IWCT : ISMO (Institut des Sciences Moléculaires d'Orsay) Workshop on Charge Transfer (IWCT), Oct 2021, Orsay, France Communication dans un congrès hal-03865494v1
	Des réseaux de neurones pour prédire des distances interatomiques extraites d'une base de données ouverte de calculs en chimie quantique Jules Leguy , Thomas Cauchy , Béatrice Duval , Benoit da Mota Extraction et Gestion des connaissances, EGC 2019, Jan 2019, Metz, France Communication dans un congrès hal-02889078v1
	Prédire une géométrie moléculaire convergée par des modèles d’apprentissage automatique Thomas Cauchy , Benoit da Mota Workshop « L’intelligence artificielle pour la chimie des matériaux », Sep 2018, Thiais, France Communication dans un congrès hal-02889017v1
	Synthèse de dérivés hétérocycliques du Spirobifluorène : limites et perspectives Clément Dalinot , Clément Cabanetos , Thomas Cauchy , Lionel Sanguinet , Philippe Leriche Science et Technologie des Systèmes pi-Conjugués (SPIC), Oct 2015, Angers, France Communication dans un congrès hal-02886813v1
	Comment rationaliser par TD-DFT les propriétés d’absorption en UV-visible en restant compréhensible pour un chimiste ? Thomas Cauchy , S. Laroussi , Yohann Morille 14èmes Journées Francophones des Jeunes Physico-Chimistes (JFJPC 14), 2013, Frejus, France Communication dans un congrès hal-03343868v1
	Rationalisation par calculs TD-DFT des propriétés d’absorption et de dichroïsme circulaire de systèmes donneur-accepteur Thomas Cauchy , Narcis Avarvari Journées Scientifiques SCF Bretagne-Pays de Loire 2013, 2013, Brest (L’Aber-Wrac’h), France Communication dans un congrès hal-03343858v1
	Etude des interactions soufre-soufre intramoléculaires : un stage revisité Thomas Cauchy , Nuria Gallego , Pierre Frère Journée Chimie Théorique N. Gallego-Planas, 2013, Angers, France Communication dans un congrès hal-03343872v1
	Light-Driven Motion of Helical Rotors in Crystalline Molecular Machines Cyprien Lemouchi , Konstantinos Iliopoulos , Emilie Champigny , Denis Gindre , Michel Chrysos International Workshop on Nano and BioPhotonics (IWNBP) and French-Korean Meeting on Functional Material for Organic Optics, Electronics, and Devices (FUNMOOD), 2011, St Germain au Mont d'Or, France Communication dans un congrès hal-03344759v1

	Machine learning in prediction of DFT-derived geometries and energies. Marta Glavatskikh , Jules Leguy , Benoit da Mota , Thomas Cauchy Journées Scientifiques SCF-BPL 2019, Apr 2019, Trégastel, France Poster de conférence hal-02889045v1
	Tetrathiafulvalene-[2.2]paracyclophanes: Synthesis, chiral structures and chiroptical properties Cécile Mézière , Magali Allain , Cristina Oliveras-Gonzalez , Thomas Cauchy , Nicolas Vanthuyne Journées André Collet de la Chiralité, 2018, Noirmoutier, France. , 2018 Poster de conférence hal-02564566v1
	Lepidotols and Lepidotins: New Phenylcoumarins from Malaysian Mesua Species Caroline Rouger , Séverine Derbré , Thomas Cauchy , Marc Litaudon , Khalijah Awang 63rd international congress and annual meeting of the society for medicinal plant and natural product research (GA), Aug 2015, Budapest, Hungary. Planta Medica, 81, pp.PM124, 2015, ⟨10.1055/s-0035-1565501⟩ Poster de conférence hal-02521265v1
	Synthèse d’analogues du Spirobifluorène pour l’électronique organique. Clément Dalinot , Clément Cabanetos , Thomas Cauchy , Lionel Sanguinet , Philippe Leriche Journées SCF, May 2015, Nantes, France Poster de conférence hal-02887212v1
	Transfert de charge et effet d’antenne par TD-DFT. Une rationalisation par différence de densité électronique. Thomas Cauchy Journées de Chimie de Coordination de la Société Chimique de France., 2014, Rennes, France. 2014 Poster de conférence hal-03347290v1
	Les différences de densité comme outils de rationalisation des propriétés d’absorption en UV-visible dans un laboratoire de chimie organique ! Thomas Cauchy , Yohann Morille RCTF2014 14ème Rencontre des Chimistes Théoriciens Francophones, 2014, Paris, France. , 2014 Poster de conférence hal-03344915v1
	UV-visible absorption and circular dichroism of TTF based donor acceptor systems Thomas Cauchy Time-Dependent-Density Functional Theory Conference, 2013, Nantes, France. 2013 Poster de conférence hal-03343873v1
	Etude théorique d’hélicènes fonctionalisés par un TTF A. Fihey , Thomas Cauchy , Narcis Avarvari Journées Scientifiques SCF Bretagne-Pays de Loire 2011, 2011, Noirmoutier, France. 2011 Poster de conférence hal-03343844v1

	Système magnétiques complexes avec des métaux de transition Thomas Cauchy Chimie. Université d'Angers, 2007. Français. ⟨NNT : ⟩ Thèse tel-00346321v1

Thomas Cauchy

Présentation

Publications

Definition and exploration of realistic chemical spaces using the connectivity and cyclic features of ChEMBL and ZINC

Dimerization reactions with oxidized brominated thiophenes

Tuning the photophysical and chiroptical properties of [4]helicene‐diketopyrrolopyrroles

Chiral diketopyrrolopyrrole dyes showing light emission in solid and aggregate states

Benzothiadiazolyl‐pyridine and ‐2,2′‐bipyridine Ligands for Luminescent and Magnetic Complexes

bay -Dissymmetrical hetero- and Aza-Benzannulated PeryleneDiimides as new n-type semiconductors

Zinc(II) and copper(II) complexes with benzothiadiazole Schiff-base ligands †

Highly Reactive Diazenyl Radical Species Evidenced during Aryldiazonium Electroreduction

Field-induced mononuclear cobalt(II) single-molecule magnet (SMM) based on a benzothiadiazole-ortho-vanillin ligand †

Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes

Chiroptical properties of anionic and neutral nickel(II) bis(dithiolene) complexes based on methyl and dimethyl‐dddt ligands

Configurationally stable dithia[7]helicene and dithia-quasi[8]circulene fused dithiolones

Reactivity and Mechanistic Issues in the Photocyclization of Dihalostyryl‐Naphthalenes towards Halo‐[4]helicenes: A Transposition on a Mallory Theme

Dimensionality Control in Crystalline Zinc(II) and Silver(I) Complexes with Ditopic Benzothiadiazole-Dipyridine Ligands

Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

Schiff-base [4]helicene Zn( ii ) complexes as chiral emitters

Conducting chiral nickel( ii ) bis(dithiolene) complexes: structural and electron transport modulation with the charge and the number of stereogenic centres

EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation

An Imine Photocyclization as an Alternative to the Pictet–Spengler Reaction for the Synthesis of AzaBenzannulated Perylenediimide Dyes

Visible-Light-Mediated Synthesis of AzaBenzannulated Perylenediimide-Based Light-Harvesting Dyads

Desymmetrization of Perylenediimide Bay Regions Using Selective Suzuki–Miyaura Reactions from Dinitro Substituted Derivatives

Original Suzuki-Miyaura Coupling Using Nitro Derivatives for the Synthesis of Perylenediimide-Based Multimers

Solvent Dependent Prototropic Tautomerism in a Schiff Base Derived from o ‐Vanillin and 2‐Aminobenzylalcohol

Dataset’s chemical diversity limits the generalizability of machine learning predictions

Prediction of the Synthesis of Spiro Derivatives by Double Intramolecular Aromatic Electrophilic Substitution Using Reactivity Indices

H-Mediated Magnetic Interactions between Layers in a 2D Mn II -Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations

Tetrathiafulvalene-[2.2]paracyclophanes: Synthesis, crystal structures, and chiroptical properties

Conformational Study and Chiroptical Properties of Chiral Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)

Triplet state CPL active helicene-dithiolene platinum bipyridine complexes

Electrode grafting by oxidation of an amine catalyzed by a ferrocenyl “antenna” through intramolecular electron transfer

Lepidotols and lepidotins: new phenylcoumarins from Malaysian Mesua species

Lepidotol A from Mesua lepidota inhibits inflammatory and immune mediators in human endothelial cells

Tetrathiafulvalene-Based Phenanthroline Ligands: Synthesis, Crystal Structures, and Electronic Properties

Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands

Vibronic spectra of organic electronic chromophores

Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor–Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations

Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations

A Series of Tetrathiafulvalene-based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence. Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue

Ethylenedithio--Tetrathiafulvalene--Helicenes: Electroactive Helical Precursors with Switchable Chiroptical Properties

Tetramethyl-Bis(ethylenedithio)-Tetrathiafulvalene (TM-BEDT-TTF) Revisited: Crystal Structures, Chiroptical Properties, Theoretical Calculations, and a Complete Series of Conducting Radical Cation Salts

Bimetallic neutral palladium (II) bis(dithiolene) complex: Unusual synthesis, structural and theoretical study

In solution sensitization of Er(III) luminescence by the 4-tetrathiafulvalene-2,6-pyridinedicarboxylic acid dimethyl antenna ligand

Electroactive Tetrathiafulvalenyl-1,2,3-triazoles by Click Chemistry: Cu- versus Ru-Catalyzed Azide-Alkyne Cycloaddition Isomers

Tetrathiafulvalene-Triazine-Dipyridylamines as Multifunctional Ligands for Electroactive Complexes: Synthesis, Structures, and Theoretical Study

Tristhienylphenylamine – extended dithiafulvene hybrids as bifunctional electroactive species

Manipulation of the Open-Circuit Voltage of Organic Solar Cells by Desymmetrization of the Structure of Acceptor-Donor-Acceptor Molecules

Synthesis, Molecular Structure, Properties, and Electronic Structures of [Cp*(dppe)FeC≡C-TTFMe3][PF6]n (n = 0, 1): Electronic Coupling between the Inorganic and Organic Electrophores

Experimental and Theoretical Studies on Photophysical Properties: Tuning Redox-Active Amido-Tetrathiafulvalene Derivatives in Paramagnetic Coordination Complexes

Radical CpNi(dithiolene) and CpNi(diselenolene) complexes:Synthetic rooutes and molecular properties

Extended Fe4 butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps

Tetrathiafulvalene-amido-2-pyridine-N-oxide as efficient charge-transfer antenna ligand for the sensitization of Yb(III) luminescence in a series of lanthanide paramagnetic coordination complexes

Binuclear Cu(II) coordination complex involving cis-tetrathiafulvalene-bis-amido-2-pyridine-N-oxide as bi-anionic ligand: a robust molecular precursor toward magnetic conducting materials.

Can theoretical methods go beyond the experimental data? The case of molecular magnetism.

Experimental and theoretical evaluation of magnetic coupling in organometallic radicals: the eloquent case of face-to-face CpCp interactions

Exchange interactions in a Fe5 complex: A theoretical study using density functional theory

On the origin of ferromagnetism in oximato-based [Mn 3 O] 7+ triangles

Ferromagnetic Interactions in Heterobimetallic Chains Formed through the Secondary Coordination of Dithiolene Complexes

Global fits of new intermolecular ground state potential energy surfaces for N2-H2 and N2-N2 van der Waals dimers

Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers

Strong magnetic interactions through weak bonding interactions in organometallic radicals: combined experimental and theoretical study.

Molecules Composed of Two Weakly Magnetically Coupled [MnIII 4] Clusters

[CpNi(dithiolene)] (and diselenolene) neutral radical complexes.

Magnetostructural Correlations in Polynuclear Complexes: The Fe 4 Butterflies

Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches

Surface modification using diazonium electrografting : evidence for a stepwise mechanism involving highly reactive diazenyl radicals.

Génération d'explications contre-factuelles pour la chimie moléculaire

De novo generation of organic molecular materials

Electron density differences, as computed by TD-DFT, to facilitate the study of UV-visible absorption and emission properties

Des réseaux de neurones pour prédire des distances interatomiques extraites d'une base de données ouverte de calculs en chimie quantique

Prédire une géométrie moléculaire convergée par des modèles d’apprentissage automatique

Synthèse de dérivés hétérocycliques du Spirobifluorène : limites et perspectives

Comment rationaliser par TD-DFT les propriétés d’absorption en UV-visible en restant compréhensible pour un chimiste ?

Rationalisation par calculs TD-DFT des propriétés d’absorption et de dichroïsme circulaire de systèmes donneur-accepteur

Etude des interactions soufre-soufre intramoléculaires : un stage revisité

Light-Driven Motion of Helical Rotors in Crystalline Molecular Machines

Machine learning in prediction of DFT-derived geometries and energies.