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

Présentation

Publications

Article dans une revue (67)

Chiral Truxene‐Based Self‐Assembled Cages: Triple Interlocking and Supramolecular Chirogenesis Simon Séjourné,Antoine Labrunie,Clément Dalinot,David Canevet,Romain Guechaichiaet al. Angewandte Chemie, 2024, 136 (15), pp.e202400961. ⟨10.1002/ange.202400961⟩ Article dans une revue hal-04588941v1
Chiral diketopyrrolopyrrole dyes showing light emission in solid and aggregate states Maurizio Mastropasqua Talamo,Thomas Cauchy,Flavia Pop,Francesco Zinna,Lorenzo Di Bariet al. 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
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
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, 26 (35), ⟨10.1002/ejic.202300513⟩ Article dans une revue hal-04797373v1
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 Vanthuyneet al. 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
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 Lloretet al. Dalton Transactions, 2022, 51 (12), pp.4760-4771. ⟨10.1039/D1DT04274B⟩ Article dans une revue hal-03855033v1
Highly Reactive Diazenyl Radical Species Evidenced during Aryldiazonium Electroreduction Laure Pichereau,Laure Fillaud,Nikolaos Kostopoulos,Emmanuel Maisonhaute,Thomas Cauchyet al. Journal of Physical Chemistry Letters, 2022, 13 (51), pp.11866-11871. ⟨10.1021/acs.jpclett.2c03089⟩ Article dans une revue hal-04303155v2
bay -Dissymmetrical hetero- and Aza-Benzannulated PeryleneDiimides as new n-type semiconductors Antoine Goujon,Lou Rocard,Hayley Melville,Thomas Cauchy,Clément Cabanetoset al. 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 Julveet al. Polyhedron, 2022, 224, pp.115994. ⟨10.1016/j.poly.2022.115994⟩ Article dans une revue hal-03855098v1
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 Cuiet al. Journal of Materials Chemistry C, 2021, 9 (12), pp.4119-4140. ⟨10.1039/D1TC00439E⟩ Article dans une revue hal-03452227v1
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 Zinnaet al. Dalton Transactions, 2021, 50 (30), pp.10533-10539. ⟨10.1039/d1dt01752g⟩ Article dans une revue hal-03452260v1
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 Cauchyet al. Chemistry - A European Journal, 2020, 26 (68), pp.15881-15891. ⟨10.1002/chem.202003420⟩ Article dans une revue hal-03084676v1
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
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 Allainet al. ACS Omega, 2019, 4 (3), pp.4571-4583. ⟨10.1021/acsomega.8b03368⟩ Article dans une revue hal-02467135v1
Solvent Dependent Prototropic Tautomerism in a Schiff Base Derived from o ‐Vanillin and 2‐Aminobenzylalcohol Nataliya Plyuta,Vladimir Kokozay,Thomas Cauchy,Narcis Avarvari,Evgeny Goreshniket al. ChemistrySelect, 2019, 4 (27), pp.7858-7865. ⟨10.1002/slct.201902118⟩ Article dans une revue hal-02357059v1
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
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
Tetrathiafulvalene-[2.2]paracyclophanes: Synthesis, crystal structures, and chiroptical properties Cécile Mézière,Magali Allain,Cristina Oliveras-Gonzalez,Thomas Cauchy,Nicolas Vanthuyneet al. 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
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 Cauchyet al. European Journal of Inorganic Chemistry, 2018, 2018 (3-4), pp.278-288. ⟨10.1002/ejic.201700971⟩ Article dans une revue hal-02888967v1
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 Hauseret al. 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
Lepidotol A from Mesua lepidota inhibits inflammatory and immune mediators in human endothelial cells Caroline Rouger,Séverine Derbré,Béatrice Charreau,Angélique Pabois,Thomas Cauchyet al. Journal of natural products, 2015, 78 (9), pp.2187-2197. ⟨10.1021/acs.jnatprod.5b00222⟩ Article dans une revue hal-01391725v1
Lepidotols and lepidotins: new phenylcoumarins from Malaysian Mesua species C. Rouger,S. Derbré,Thomas Cauchy,M. Litaudon,K Awanget al. Planta Medica, 2015, 81 (16), ⟨10.1055/S-0035-1565501⟩ Article dans une revue hal-02888972v1
Tetrathiafulvalene-Based Phenanthroline Ligands: Synthesis, Crystal Structures, and Electronic Properties Esmah Belhadj,Abdelkrim El-Ghayoury,Thomas Cauchy,Magali Allain,Miloud Mazariet al. European Journal of Inorganic Chemistry, 2014, 2014 (24), pp.3912-3919. ⟨10.1002/ejic.201402073⟩ Article dans une revue istex 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
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 Cadoret al. 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 Rousselet al. Chemistry - A European Journal, 2013, 19 (39), pp.13160-13167. ⟨10.1002/chem.201301095⟩ Article dans une revue hal-01086724v1
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 Wzieteket al. Journal of the American Chemical Society, 2013, 135 (25), pp.9366-9376. ⟨10.1021/ja4044517⟩ Article dans une revue hal-03084635v1
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 Dinget al. Bioinorganic chemistry, 2013, 52 (9), pp.5023. ⟨10.1021/ic3027336⟩ Article dans une revue hal-01114108v1
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. Walliset al. Chirality, 2013, 25 (8), pp.466-474. ⟨10.1002/chir.22210⟩ Article dans une revue istex hal-01390657v1
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 istex 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
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 Galet al. Inorganic Chemistry, 2012, 51 (2), pp.978-84. ⟨10.1021/ic202045a⟩ Article dans une revue hal-00836834v1
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 Poet al. Advanced Functional Materials, 2011, 21 (22), pp.4379-4387. ⟨10.1002/adfm.201101508⟩ Article dans une revue istex hal-03084624v1
Tristhienylphenylamine – extended dithiafulvene hybrids as bifunctional electroactive species Emilie Ripaud,Philippe Leriche,Nicolas Cocherel,Thomas Cauchy,Pierre Frèreet al. Organic & Biomolecular Chemistry, 2011, 9 (4), pp.1034-1040. ⟨10.1039/c0ob00471e⟩ Article dans une revue hal-03084626v1
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 Cadoret al. Chemical Communications, 2010, 46, pp.4947--4949. ⟨10.1039/c0cc00672f⟩ Article dans une revue istex hal-01151347v1
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 Golhenet al. Chemistry - A European Journal, 2010, 16, pp.11926--41. ⟨10.1002/chem.201001450⟩ Article dans une revue istex hal-01151359v1
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 istex hal-03084618v1
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 Cauchyet al. 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 Cadoret al. 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 istex hal-00502089v1
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
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 istex hal-00344385v1
On the origin of ferromagnetism in oximato-based [Mn 3 O] 7+ triangles Joan Cano,Thomas Cauchy,Eliseo Ruiz,Constantinos Milios,Constantinos Stoumposet al. Dalton Transactions, 2008, 2, pp.234-240. ⟨10.1039/b710055h⟩ Article dans une revue istex hal-03084522v1
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 istex hal-03084560v1
Molecules Composed of Two Weakly Magnetically Coupled [MnIII 4] Clusters E. Carolina Sanudo,Thomas Cauchy,Eliseo Ruiz,Rebecca H. Laye,Olivier Roubeauet al. Inorganic Chemistry, 2007, 46, pp. 9045-9047. ⟨10.1021/ic701467y⟩ Article dans une revue istex hal-00696162v1
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 Cappellettiet al. Chemical Physics Letters, 2007, 445 (4-6), pp.99-107. ⟨10.1016/j.cplett.2007.07.053⟩ Article dans une revue istex 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. Cappellettiet al. Chemical Physics Letters, 2007, 445 (4-6), pp.99-107. ⟨10.1016/j.cplett.2007.07.053⟩ Article dans une revue istex 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 istex hal-00189178v1
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 istex hal-02644844v1
[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 istex 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 istex hal-02644830v1
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 The Journal of Chemical Physics, 2005, 123 (7), pp.074102. ⟨10.1063/1.1999631⟩ Article dans une revue hal-02644823v1

Communication dans un congrès (14)

Guiding Evolutionary Molecular Design: Adding Reinforcement Learning for Mutation Selection Gaëlle Milon-Harnois,Chaïmaâ Touhami,Nicolas Gutowski,Benoit da Mota,Thomas Cauchy 37th International Conference on Tools with Artificial Intelligence (ICTAI 2025), IEEE; IEEECS; Biological & Artificial Intelligence foundation, Nov 2025, Athènes, Greece Communication dans un congrès hal-05292870v1
Rethinking NLP for Chemistry: A Critical Look at the USPTO Benchmark Derin Ozer,Nicolas Gutowski,Benoit da Mota,Thomas Cauchy,Sylvain Lamprier EMNLP, Nov 2025, Suzhou, China, China Communication dans un congrès hal-05379166v1
A Transformer Model for Predicting Chemical Products from Generic SMARTS Templates with Data Augmentation Derin Ozer,Sylvain Lamprier,Thomas Cauchy,Nicolas Gutowski,Benoit da Mota ICTAI, Nov 2025, Athène, Greece Communication dans un congrès hal-05379139v1
Surface modification using diazonium electrografting : evidence for a stepwise mechanism involving highly reactive diazenyl radicals. Laure Pichereau,Laure Fillaud,Nikolaos Kostopoulos,Emmanuel Maisonhaute,Thomas Cauchyet al. 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
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
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
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
Light-Driven Motion of Helical Rotors in Crystalline Molecular Machines Cyprien Lemouchi,Konstantinos Iliopoulos,Emilie Champigny,Denis Gindre,Michel Chrysoset al. 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

Poster de conférence (8)

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 Vanthuyneet al. Journées André Collet de la Chiralité, 2018, Noirmoutier, France. , 2018 Poster de conférence hal-02564566v1
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
Lepidotols and Lepidotins: New Phenylcoumarins from Malaysian Mesua Species Caroline Rouger,Séverine Derbré,Thomas Cauchy,Marc Litaudon,Khalijah Awanget al. 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
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
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
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

Thèse (1)

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