| Ayache, H., Hammoutene, D., Fritsch, E., Elkechai, A., Boucekkine, A. & Latouche, C. (2017) Comprehensive approach to simulate vibrationally resolved phosphorescence spectra of gold(III) complexes using DFT including temperature effects. Theoretical Chemistry Accounts, 136 108. |
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| Last edited by: Richard Baschera 2017-10-24 13:52:16 |
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| Baiardi, A., Latouche, C., Bloino, J. & Barone, V. (2014) Accurate yet feasible computations of resonance Raman spectra for metal complexes in solution: [Ru(bpy)3](2+) as a case study. Dalton Transactions (Cambridge, England : 2003), 43 17610–17614. |
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| Last edited by: Richard Baschera 2016-12-07 15:49:48 |
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| Barone, V., Biczysko, M., Latouche, C. & Pasti, A. (2015) Virtual eyes for technology and cultural heritage: towards computational strategy for new and old indigo-based dyes. Theoretical Chemistry Accounts, 134 1–14. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Barone, V., Bellina, F., Biczysko, M., Bloino, J., Fornaro, T., Latouche, C., Lessi, M., Marianetti, G., Minei, P., Panattoni, A. & Pucci, A. (2015) Toward the design of alkynylimidazole fluorophores: computational and experimental characterization of spectroscopic features in solution and in poly(methyl methacrylate). Phys. Chem. Chem. Phys. 17 26710–26723. |
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| Added by: Laurent Cournède 2016-03-10 18:36:42 |
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| Barreau, N., Frelon, A., Lepetit, T., Gautron, E., Gautier, N., Ribeiro-Andrade, R., Nicoara, N., Sadewasser, S., Zabierowski, P., Arzel, L., Choubrac, L., Harel, S., Deudon, C., Latouche, C., Jobic, S., Caldes, M., Assmann, L., Tsoulka, P., Pean, E. V., Lorthioir, J., Geschier, F., Braems, I., Moret, M., Briot, O. & Ouvrard, G. (2017) High Efficiency Solar Cell Based on Full PVD Processed Cu(In,Ga)Se-2/CdIn2S4 Heterojunction. Solar Rrl, 1 UNSP 1700140. |
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| Added by: Richard Baschera 2018-02-07 15:38:51 |
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| Behrh, G. K., Gautier, R., Latouche, C., Jobic, S. & Serier-Brault, H. (2016) Synthesis and Photoluminescence Properties of Ca2Ga2SiO7:Eu3+ Red Phosphors with an Intense D-5(0) -> F-7(4) Transition. Inorg. Chem. 55 9144–9146. |
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| Last edited by: Richard Baschera 2016-10-18 09:42:51 |
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| Belaidi, H., Belaidi, S., Katan, C., Latouche, C. & Boucekkine, A. (2016) Vibronic coupling to simulate the phosphorescence spectra of Ir(III)-based OLED systems: TD-DFT results meet experimental data. J. Mol. Model. 22 265. |
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| Last edited by: Richard Baschera 2017-02-02 13:43:18 |
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| Belaidi, H., Rauch, F., Zhang, Z., Latouche, C., Boucekkine, A., Marder, T. B. & Halet, J.-F. (2020) Insights into the Optical Properties of Triarylboranes with Strongly Electron-Accepting Bis(fluoromesityl)boryl Groups: when Theory Meets Experiment. Chemphotochem, 4 173–180. |
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| Last edited by: Richard Baschera 2020-04-24 08:28:35 |
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| Benito, Q., Balogh, C. M., El Moll, H., Gacoin, T., Cordier, M., Rakhmatullin, A., Latouche, C., Martineau-Corcos, C. & Perruchas, S. (2018) Luminescence Vapochromism of a Dynamic Copper Iodide Mesocate. Chemistry A European Journal, 24 18868–18872. |
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| Last edited by: Richard Baschera 2020-05-18 14:21:01 |
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| Blumentritt, F., Latouche, C., Morizet, Y., Caldes, M.-T., Jobic, S. & Fritsch, E. (2020) Unravelling the Origin of the Yellow-Orange Luminescence in Natural and Synthetic Scapolites. Journal of Physical Chemistry Letters, 11 4591–4596. |
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| Last edited by: Richard Baschera 2020-11-24 15:36:05 |
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| Broeckx, L. E. E., Delaunay, W., Latouche, C., Lutz, M., Boucekkine, A., Hissler, M. & Müller, C. (2013) C-H activation of 2,4,6-triphenylphosphinine: synthesis and characterization of the first homoleptic phosphinine-iridium(III) complex fac-[Ir(C{^{}P)3].}. Inorganic Chemistry, 52 10738–10740. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Cavignac, T., Vigier, M., Fritsch, E., Deniard, P., Jobic, S. & Latouche, C. (2024) Luminescence Properties of Al2O3:Ti in the Blue and Red Regions: A Combined Theoretical and Experimental Study. Inorg. Chem. 63 2934–2944. |
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| Last edited by: Richard Baschera 2024-04-16 07:38:49 |
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| Cavignac, T., Jobic, S. & Latouche, C. (2022) Modeling Luminescence Spectrum of BaZrO3:Ti Including Vibronic Coupling from First Principles Calculations br. Journal of chemical theory and computation, |
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| Last edited by: Richard Baschera 2022-11-25 13:06:38 |
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| Cavignac, T., Latouche, C. & Jobic, S. (2022) A Theoretical Discussion on the Stability of (O-2)-and (S-2)-Species inKCl and KBr Salts: Luminescence Spectra and Defect Energy Formation. J. Phys. Chem. C, 126 6060–6064. |
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| Last edited by: Richard Baschera 2022-05-12 12:38:54 |
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| Colmont, M., Boutinaud, P., Latouche, C., Massuyeau, F., Huve, M., Zadoya, A. & Jobic, S. (2020) Origin of Luminescence in La2MoO6 and La2Mo2O9 and Their Bi-Doped Variants. Inorg. Chem. 59 3215–3220. |
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| Last edited by: Richard Baschera 2020-04-10 12:54:41 |
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| Das, A., Latouche, C., Jobic, S., Gautron, E., Merabet, A., Zając, M., Shibui, A., Krüger, P., Huang, W.-H., Chen, C.-L., Kandasami, A. & Bittencourt, C. (2024) Stabilization of high-pressure phase of CdO by nanoparticle formation in CdxZn1-xO thin films. Acta Materialia, 267 119744. |
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| Last edited by: Richard Baschera 2024-04-16 08:19:35 |
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| Dolatyari, V., Shahsavari, H. R., Fereidoonnezhad, M., Farhadi, F., Akhlaghi, S., Latouche, C., Sakamaki, Y. & Beyzavi, H. (2023) Luminescent Heterobimetallic Pt-II-Au-I Complexes Bearing N-Heterocyclic Carbenes (NHCs) as Potent Anticancer Agents. Inorg. Chem. 62 13241–13252. |
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| Last edited by: Richard Baschera 2023-08-24 08:55:47 |
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| El Moll, H., Cordier, M., Nocton, G., Massuyeau, F., Latouche, C., Martineau-Corcos, C. & Perruchas, S. (2018) A Heptanuclear Copper Iodide Nanocluster. Inorganic Chemistry, 57 11961–11969. |
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| Last edited by: Richard Baschera 2018-12-19 10:04:56 |
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| Ferré, T., Cavignac, T., Jobic, S. & Latouche, C. (2023) A computational study of CaWO4: Raman spectrum, intrinsic defects, and excited state properties. Computational Materials Science, 228 112323. |
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| Last edited by: Richard Baschera 2023-08-17 13:25:59 |
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| Fillaut, J.-L., Akdas-Kilig, H., Dean, E., Latouche, C. & Boucekkine, A. (2013) Switching of reverse charge transfers for a rational design of an OFF-ON phosphorescent chemodosimeter of cyanide anions.. Inorganic Chemistry, 52 4890–4897. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Fritsch, E., Rondeau, B., Devouard, B., Pinsault, L. & Latouche, C. (2017) Why are some crystals gem quality? Crystal growth considerations on the "gem factor". Canadian Mineralogist, 55 521–533. |
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| Last edited by: Richard Baschera 2017-10-24 13:43:18 |
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| Gautier, R., Latouche, C., Paris, M. & Massuyeau, F. (2017) Thermochromic Luminescent Materials and Multi-Emission Bands in d(10) Clusters. Sci Rep, 7 45537. |
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| Last edited by: Richard Baschera 2017-04-28 13:18:52 |
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| Guillot-Deudon, C., Caldes, M. T., Stoliaroff, A., Choubrac, L., Paris, M., Latouche, C., Barreau, N., Lafond, A. & Jobic, S. (2018) Crystal Chemistry, Optical-Electronic Properties, and Electronic Structure of Cd1-xIn2+2x/3S4 Compounds (0 <= x <= 1), Potential Buffer in CIGS-Based Thin-Film Solar Cells. Inorganic Chemistry, 57 12624–12631. |
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| Last edited by: Richard Baschera 2018-12-19 10:43:46 |
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| Hoang, K., Latouche, C. & Jobic, S. (2019) Defect energy levels and persistent luminescence in Cu-doped ZnS. Computational Materials Science, 163 63–67. |
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| Last edited by: Richard Baschera 2019-05-27 09:55:19 |
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| Hoang, K., Latouche, C. & Jobic, S. (2022) Why is it so difficult to realize Dy4+ in as-synthesized BaZrO3? J. Am. Ceram. Soc. |
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| Last edited by: Richard Baschera 2022-03-25 10:59:47 |
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| Ibersiene, F., Latouche, C., Katan, C. & Boucekkine, A. (2018) On the contribution of f electrons to the quadratic hyperpolarizability: the case of lanthanide terpyridyl complexes. Physical Chemistry Chemical Physics, 20 7401–7406. |
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| Last edited by: Richard Baschera 2018-04-27 13:34:57 |
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| Jiang, T., Polteau, B., Farre, Y., Cario, L., Latouche, C., Pellegrin, Y., Boujtita, M., Odobel, F., Tessier, F., Chevire, F. & Jobic, S. (2017) Experimental and Theoretical Evidences of p-Type Conductivity in Nickel Carbodiimide Nanoparticles with a Delafossite Structure Type. Inorganic Chemistry, 56 7922–7927. |
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| Last edited by: Richard Baschera 2017-10-24 14:09:20 |
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| Jouhara, A., Rzesny, L., Rialland, V., Latouche, C., Poizot, P. & Esser, B. (2023) Fusing Thiadiazole and Terephthalate: A Concept to Promote the Electrochemical Performance of Conjugated Dicarboxylates. ChemSusChem, 16 e202300286. |
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| Last edited by: Richard Baschera 2023-07-28 14:35:17 |
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| Kourtellaris, A., Lafargue-Dit-Hauret, W., Massuyeau, F., Latouche, C., Tasiopoulos, A. J. & Serier-Brault, H. (2022) Tuning of Thermometric Performances of Mixed Eu-Tb Metal-Organic Frameworks through Single-Crystal Coordinating Solvent Exchange Reactions. Advanced Optical Materials, 2200484. |
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| Last edited by: Richard Baschera 2022-08-19 07:06:26 |
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| Lafargue-Dit-Hauret, W., Allix, M., Viana, B., Jobic, S. & Latouche, C. (2022) Computational analysis on native and extrinsic point defects in YAG using the metaGGA SCAN method. Theoretical Chemistry Accounts, 141. |
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| Last edited by: Richard Baschera 2022-10-24 11:58:28 |
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| Lafargue-Dit-Hauret, W., Latouche, C., Allix, M., Viana, B. & Jobic, S. (2022) First-principles calculations to identify key native point defects in Sr4Al14O25. Phys. Chem. Chem. Phys. 24 2482–2490. |
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| Last edited by: Richard Baschera 2022-01-28 11:44:44 |
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| Lafargue-Dit-Hauret, W., Latouche, C. & Jobic, S. (2021) Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice. J. Phys. Chem. C, 125 4267–4276. |
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| Last edited by: Richard Baschera 2021-04-09 11:40:05 |
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| Lafargue-Dit-Hauret, W., Schira, R., Latouche, C. & Jobic, S. (2021) Theoretical Calculations Meet Experiment to Explain the Luminescence Properties and the Presence of Defects in m-ZrO2. Chemistry of Materials, 33 2984–2992. |
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| Last edited by: Richard Baschera 2021-06-03 09:49:15 |
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| Latouche, C., Palazzetti, F., Skouteris, D. & Barone, V. (2014) High-Accuracy Vibrational Computations for Transition Metal Complexes Including Anharmonic Corrections: Ferrocene, Ruthenocene and Osmocene as test cases. Journal of chemical theory and computation, 10 4565–4573. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Latouche, C., Kahlal, S., Lin, Y.-R., Liao, J.-H., Furet, E., Liu, C. W. & Saillard, J.-Y. (2013) Anion Encapsulation and Geometric Changes in Hepta-and Hexanuclear Copper (I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation. Inorganic Chemistry, 52 13253–13262. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Latouche, C., Liu, C. W. & Saillard, J.-Y. (2014) Encapsulating Hydrides and Main-Group Anions in d10-Metal Clusters Stabilized by 1,1-Dichalcogeno Ligands. Journal of Cluster Science, 25 147–171. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Latouche, C., Akdas-Kilig, H., Malval, J.-P., Fillaut, J.-L., Boucekkine, A. & Barone, V. (2015) Theoretical evidence of metal-induced structural distortions in a series of bipyrimidine-based ligands. Dalton Trans. 44 506–510. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Latouche, C., Lin, Y.-R., Tobon, Y., Furet, E., Saillard, J.-Y., Liu, C.-W. & Boucekkine, A. (2014) Au-Au chemical bonding induced by UV irradiation of dinuclear gold(I) complexes: a computational study with experimental evidence.. Physical chemistry chemical physics : PCCP, 16 25840–25845. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Latouche, C., Gautier, R., Genois, R. & Massuyeau, F. (2018) Structural and Spectroscopic Investigations of Two [Cu4X6](2-) (X = Cl-, Br-) Clusters: A Joint Theoretical and Experimental Work. Journal of Physical Chemistry A, 122 4628–4634. |
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| Last edited by: Richard Baschera 2018-07-24 13:01:38 |
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| Latouche, C., Lanoe, P.-H., Williams, J. A. G., Guerchais, V., Boucekkine, A. & Fillaut, J.-L. (2011) Switching of excited states in cyclometalated platinum complexes incorporating pyridyl-acetylide ligands (Pt--C [triple bond, length as m-dash] C--py): a combined experimental and theoretical study. New Journal of Chemistry, 35 2196–2202. |
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