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Thomas Cauchy
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Manipulation of the Open‐Circuit Voltage of Organic Solar Cells by Desymmetrization of the Structure of Acceptor–Donor–Acceptor Molecules
D Demeter, T Rousseau, P Leriche, T Cauchy, R Po, J Roncali
Advanced Functional Materials 21 (22), 4379-4387, 2011
1122011
Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches
E Ruiz, A Rodríguez-Fortea, J Tercero, T Cauchy, C Massobrio
The Journal of chemical physics 123 (7), 2005
1102005
Magnetostructural Correlations in Polynuclear Complexes:  The Fe4 Butterflies
T Cauchy, E Ruiz, S Alvarez
Journal of the American Chemical Society 128 (49), 15722-15727, 2006
1062006
Crystalline arrays of pairs of molecular rotors: Correlated motion, rotational barriers, and space-inversion symmetry breaking due to conformational mutations
C Lemouchi, K Iliopoulos, L Zorina, S Simonov, P Wzietek, T Cauchy, ...
Journal of the American Chemical Society 135 (25), 9366-9376, 2013
1032013
Magnetic Structure of the Large-Spin Mn10 and Mn19 Complexes: A Theoretical Complement to an Experimental Milestone
E Ruiz, T Cauchy, J Cano, R Costa, J Tercero, S Alvarez
Journal of the American Chemical Society 130 (23), 7420-7426, 2008
1032008
Dataset’s chemical diversity limits the generalizability of machine learning predictions
M Glavatskikh, J Leguy, G Hunault, T Cauchy, B Da Mota
Journal of Cheminformatics 11, 1-15, 2019
932019
Tetrathiafulvalene‐amido‐2‐pyridine‐N‐oxide as Efficient Charge‐Transfer Antenna Ligand for the Sensitization of YbIII Luminescence in a Series of Lanthanide …
F Pointillart, T Cauchy, O Maury, Y Le Gal, S Golhen, O Cador, L Ouahab
Chemistry–A European Journal 16 (39), 11926-11941, 2010
862010
Ethylenedithio Tetrathiafulvalene Helicenes: Electroactive Helical Precursors with Switchable Chiroptical Properties
T Biet, A Fihey, T Cauchy, N Vanthuyne, C Roussel, J Crassous, ...
Chemistry–A European Journal 19 (39), 13160-13167, 2013
852013
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 445 (4-6), 99-107, 2007
732007
A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence Direct Magnetic and Photo-Physical Correlations in the …
F Pointillart, B Le Guennic, T Cauchy, S Golhen, O Cador, O Maury, ...
Inorganic Chemistry 52 (10), 5978-5990, 2013
722013
Triplet state CPL active helicene–dithiolene platinum bipyridine complexes
T Biet, T Cauchy, Q Sun, J Ding, A Hauser, P Oulevey, T Bürgi, ...
Chemical Communications 53 (66), 9210-9213, 2017
702017
In solution sensitization of Er (III) luminescence by the 4-tetrathiafulvalene-2, 6-pyridinedicarboxylic acid dimethyl antenna ligand
F Pointillart, A Bourdolle, T Cauchy, O Maury, Y Le Gal, S Golhen, ...
Inorganic Chemistry 51 (2), 978-984, 2012
582012
Molecules Composed of Two Weakly Magnetically Coupled [MnIII4] Clusters
EC Sanudo, T Cauchy, E Ruiz, RH Laye, O Roubeau, SJ Teat, G Aromí
Inorganic chemistry 46 (22), 9045-9047, 2007
552007
[CpNi (dithiolene)](and diselenolene) neutral radical complexes
M Nomura, T Cauchy, M Geoffroy, P Adkine, M Fourmigué
Inorganic chemistry 45 (20), 8194-8204, 2006
532006
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation
J Leguy, T Cauchy, M Glavatskikh, B Duval, B Da Mota
Journal of cheminformatics 12, 1-19, 2020
522020
Tetramethyl‐Bis (ethylenedithio)‐Tetrathiafulvalene (TM‐BEDT‐TTF) Revisited: Crystal Structures, Chiroptical Properties, Theoretical Calculations, and a Complete Series of …
F Pop, S Laroussi, T Cauchy, CJ Gomez‐Garcia, JD Wallis, N Avarvari
Chirality 25 (8), 466-474, 2013
512013
On the origin of ferromagnetism in oximato-based [Mn 3 O] 7+ triangles
J Cano, T Cauchy, E Ruiz, CJ Milios, CC Stoumpos, TC Stamatatos, ...
Dalton Transactions, 234-240, 2008
432008
Radical CpNi (dithiolene) and CpNi (diselenolene) complexes: Synthetic routes and molecular properties
M Nomura, T Cauchy, M Fourmigué
Coordination Chemistry Reviews 254 (13-14), 1406-1418, 2010
412010
Experimental and theoretical studies on photophysical properties: tuning redox-active amido-tetrathiafulvalene derivatives in paramagnetic coordination complexes
F Pointillart, T Cauchy, YL Gal, S Golhen, O Cador, L Ouahab
Inorganic chemistry 49 (4), 1947-1960, 2010
402010
Tetrathiafulvalene-1, 3, 5-triazines as (Multi) donor–acceptor systems with tunable charge transfer: structural, photophysical, and theoretical investigations
F Pop, F Riobé, S Seifert, T Cauchy, J Ding, N Dupont, A Hauser, M Koch, ...
Inorganic chemistry 52 (9), 5023-5034, 2013
372013
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