| 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. |
|
| Last edited by: Richard Baschera 2018-07-24 13:01:38 |
Pop. 1%
|
| 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. |
|
| Last edited by: Richard Baschera 2017-03-06 13:48:22 |
Pop. 1%
|
| Latouche, C., Liao, J.-H., Li, Y.-J., Shiu, R.-Y., Barone, V., Kahlal, S., Liu, C. W. & Saillard, J.-Y. (2017) Encapsulating Iodine and Copper into Copper(I) Clusters Stabilized by Dichalcogenolate Ligands: Stability, Structure, and Optical Properties. Inorganic Chemistry, 56 14135–14146. |
|
| Last edited by: Richard Baschera 2018-02-08 09:18:40 |
Pop. 1%
|
| Latouche, C., Skouteris, D., Palazzetti, F. & Barone, V. (2015) TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes. Journal of chemical theory and computation, 11 3281–3289. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 1%
|
| Latouche, C., Baiardi, A. & Barone, V. (2015) Virtual Eyes Designed for Quantitative Spectroscopy of Inorganic Complexes: Vibronic Signatures in the Phosphorescence Spectra of Terpyridine Derivatives. The Journal of Physical Chemistry B, 119 7253–7257. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 0.75%
|
| Latouche, C., Kahlal, S., Furet, E., Liao, P.-K., Lin, Y.-R., Fang, C.-S., Cuny, J., Liu, C. W. & Saillard, J.-Y. (2013) Shape Modulation of Octanuclear Cu (I) or Ag (I) Dichalcogeno Template Clusters with Respect to the Nature of their Encapsulated Anions: A Combined Theoretical and Experimental Investigation. Inorganic Chemistry, 52 7752–7765. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 0.75%
|
| Li, Y.-J., Latouche, C., Kahlal, S., Liao, J.-H., Dhayal, R. S., Saillard, J.-Y. & Liu, C. W. (2012) A µ9-Iodide in a Tricapped Trigonal-Prismatic Geometry. Inorg. Chem. 51 7439–7441. |
|
| Last edited by: Richard Baschera 2017-03-06 13:56:13 |
Pop. 1%
|
| Liao, J.-H., Latouche, C., Li, B., Kahlal, S., Saillard, J.-Y. & Liu, C. W. (2014) A twelve-coordinated iodide in a cuboctahedral silver(I) skeleton.. Inorganic Chemistry, 53 2260–2267. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 0.75%
|
| Licari, D., Baiardi, A., Biczysko, M., Egidi, F., Latouche, C. & Barone, V. (2015) Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS?Draw tool. Journal of computational chemistry, 36 321–334. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 1%
|
| Liu, C. W., Lin, Y. R., Fang, C. S., Latouche, C., Kahlal, S. & Saillard, J. Y. (2013) (E = Se, S): Precursors for the fabrication of silver nanoparticles. Inorganic Chemistry, 52 2070–2077. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 1.25%
|
| Martìnez-Vollbert, E., Ciambrone, C., Lafargue-Dit-Hauret, W., Latouche, C., Loiseau, F. & Lanoe, P.-H. (2022) Bis-Heteroleptic Cationic Iridium(III) Complexes Featuring Cyclometalating 2-Phenylbenzimidazole Ligands: A Combined Experimental and Theoretical Study. Inorg. Chem. 61 3033–3049. |
|
| Last edited by: Richard Baschera 2022-03-25 10:57:24 |
Pop. 3.25%
|
| Martìnez-Vollbert, E., Philouze, C., Cavignac, T., Latouche, C., Loiseau, F. & Lanoe, P.-H. (2024) Neutral 2-phenylbenzimidazole-based iridium(III) complexes with picolinate ancillary ligand: tuning the emission properties by manipulating the substituent on the benzimidazole ring. Dalton Trans. 53 4705–4718. |
|
| Last edited by: Richard Baschera 2024-04-16 07:42:06 |
Pop. 1.25%
|
| Massuyeau, F., Faulques, E. & Latouche, C. (2017) New Insights To Simulate the Luminescence Properties of Pt(II) Complexes Using Quantum Calculations. J. Chem. Theory Comput. 13 1748–1755. |
|
| Last edited by: Richard Baschera 2017-06-02 14:23:09 |
Pop. 1.25%
|
| Massuyeau, F., Faulques, E., Latouche, C. & Barone, V. (2016) New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approaches. Physical Chemistry Chemical Physics, 18 19378–19385. |
|
| Last edited by: Richard Baschera 2016-08-24 13:19:38 |
Pop. 1%
|
| Meinnel, J., Latouche, C., Ghanemi, S., Boucekkine, A., Barone, V., Moreac, A. & Boudjada, A. (2016) Anharmonic Computations Meet Experiments (IR, Raman, Neutron Diffraction) for Explaining the Behavior of 1,3,5-Tribromo-2,4,6-trimethylbenzene. Journal of Physical Chemistry A, 120 1127–1132. |
|
| Added by: Richard Baschera 2016-03-29 08:07:00 |
Pop. 1%
|
| Mvele, L.-B., Sasaki, S., Latouche, C., Deniard, P., Janod, E., Braems, I., Jobic, S. & Cario, L. (2023) Revisiting the Crystal Structure of Layered Oxychalcogenides Ln2O2S2 (Ln = La, Pr, and Nd). Inorganic Chemistry, 62 7264–7272. |
|
| Last edited by: Richard Baschera 2023-06-12 13:45:17 |
Pop. 2%
|
| N'Dala-Louika, I., Ananias, D., Latouche, C., Dessapt, R., Carlos, L. D. & Serier-Brault, H. (2017) Ratiometric mixed Eu-Tb metal-organic framework as a new cryogenic luminescent thermometer. Journal of Materials Chemistry C, 5 10933–10937. |
|
| Last edited by: Richard Baschera 2017-11-20 09:13:59 |
Pop. 1%
|
| Pean, E., Vidal, J., Jobic, S. & Latouche, C. (2017) Presentation of the PyDEF post-treatment Python software to compute publishable charts for defect energy formation. Chem. Phys. Lett. 671 124–130. |
|
| Last edited by: Richard Baschera 2017-04-28 13:13:47 |
Pop. 1.5%
|
| Pean, E. V., Barreau, N., Vidal, J., Latouche, C. & Jobic, S. (2017) Theoretical investigation of CdIn2S4: A possible substitute for CdS in CuIn1-xGaxSe2-based photovoltaic devices. Physical Review Materials, 1 064605. |
|
| Last edited by: Richard Baschera 2018-02-08 08:57:08 |
Pop. 1%
|
| Perticarari, S., Doizy, T., Soudan, P., Ewels, C., Latouche, C., Guyomard, D., Odobel, F., Poizot, P. & Gaubicher, J. (2019) Intermixed Cation-Anion Aqueous Battery Based on an Extremely Fast and Long-Cycling Di-Block Bipyridinium-Naphthalene Diimide Oligomer. Advanced Energy Materials, 9 1803688. |
|
| Last edited by: Richard Baschera 2019-08-22 14:32:51 |
Pop. 1.25%
|
| Savel, P., Latouche, C., Roisnel, T., Akdas-Kilig, H., Boucekkine, A. & Fillaut, J.-L. (2013) Cyclometalated platinum (II) with ethynyl-linked azobenzene ligands: an original switching mode. Dalton Transactions, 42 16773–16783. |
|
| Added by: Richard Baschera 2016-09-27 07:35:11 |
Pop. 0.75%
|
| Schiavo, E., Latouche, C., Barone, V., Crescenzi, O., Munoz-Garcia, A. B. & Pavone, M. (2018) An ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: effects of Mg-doping and surface electronic features. Physical Chemistry Chemical Physics, 20 14082–14089. |
|
| Last edited by: Richard Baschera 2018-07-24 12:46:42 |
Pop. 1.5%
|
| Schira, R. & Latouche, C. (2021) DFT vs. TDDFT vs. TDA to simulate phosphorescence spectra of Pt- and Ir-based complexes. Dalton Trans. 50 746–753. |
|
| Last edited by: Richard Baschera 2021-02-12 09:49:36 |
Pop. 2%
|
| Schira, R. & Latouche, C. (2020) DFT and hybrid-DFT calculations on the electronic properties of vanadate materials: theory meets experiments. New J. Chem. 44 11602–11607. |
|
| Last edited by: Richard Baschera 2020-11-17 13:36:03 |
Pop. 1%
|
| Shang, C., Gautier, R., Jiang, T., Faulques, E., Latouche, C., Paris, M., Cario, L., Bujoli-Doeuff, M. & Jobic, S. (2017) A p-Type Zinc-Based Metal-Organic Framework. Inorganic Chemistry, 56 6208–6213. |
|
| Last edited by: Richard Baschera 2017-07-10 13:26:31 |
Pop. 1%
|
| Stoliaroff, A., Barreau, N., Jobic, S. & Latouche, C. (2018) Beta-In2S3 for photovoltaic devices: investigation of the native point defects with ab initio first-principle calculations. Theoretical Chemistry Accounts, 137 102. |
|
| Last edited by: Richard Baschera 2018-07-24 14:28:41 |
Pop. 2%
|
| Stoliaroff, A., Schira, R., Blumentritt, F., Fritsch, E., Jobic, S. & Latouche, C. (2021) Point Defects Modeling Explains Multiple Sulfur Species in Sulfur-Doped Na-4(Al3Si3O12)Cl Sodalite. J. Phys. Chem. C, 125 16674–16680. |
|
| Last edited by: Richard Baschera 2021-09-27 09:08:04 |
Pop. 1.5%
|
| Stoliaroff, A., Latouche, C. & Jobic, S. (2021) Impact of point defects on the electrical properties of selenium: A density functional theory investigation with discussion of the entropic term. Physical Review B, 103. |
|
| Last edited by: Richard Baschera 2021-06-03 10:20:54 |
Pop. 2.5%
|
| Stoliaroff, A. & Latouche, C. (2020) Accurate Ab Initio Calculations on Various PV-Based Materials: Which Functional to Be Used? J. Phys. Chem. C, 124 8467–8478. |
|
| Last edited by: Richard Baschera 2020-05-25 08:15:43 |
Pop. 2.25%
|
| Stoliaroff, A., Jobic, S. & Latouche, C. (2019) New insights into the determination of maximum chemical potentials to account for alkali doping in beta-In2S3 by ab initio calculations. Computational Materials Science, 168 221–228. |
|
| Last edited by: Richard Baschera 2019-08-22 13:48:09 |
Pop. 0.75%
|
| Stoliaroff, A., Jobic, S. & Latouche, C. (2019) Optoelectronic Properties of TiS2: A Never Ended Story Tackled by Density Functional Theory and Many-Body Methods. Inorganic Chemistry, 58 1949–1957. |
|
| Last edited by: Richard Baschera 2019-02-22 10:11:07 |
Pop. 1.25%
|
| Stoliaroff, A., Lecomte, A., Rubel, O., Jobic, S., Zhang, X., Latouche, C. & Rocquefelte, X. (2020) Deciphering the Role of Key Defects in Sb2Se3, a Promising Candidate for Chalcogenide-Based Solar Cells. ACS Appl. Energy Mater. 3 2496–2509. |
|
| Last edited by: Richard Baschera 2020-05-07 11:55:44 |
Pop. 1.5%
|
| Stoliaroff, A., Jobic, S. & Latouche, C. (2020) An Ab initio Perspective on the Key Defects of CsCu5Se3, a Possible Material for Optoelectronic Applications. The Journal of Physical Chemistry C, 124 4363–4368. |
|
| Last edited by: Richard Baschera 2020-03-19 09:09:21 |
Pop. 2.75%
|
| Stoliaroff, A., Rio, J. & Latouche, C. (2019) Accurate computations to simulate the phosphorescence spectra of large transition complexes: simulated colors match experiment. New Journal of Chemistry, 43 11903–11911. |
|
| Last edited by: Richard Baschera 2019-08-22 14:26:03 |
Pop. 1.75%
|
| Stoliaroff, A., Latouche, C. & Jobic, S. (2019) Versatile electrical behavior of 1T-TiS2 elucidated from a theoretical study. Physical Review B, 99 165122. |
|
| Last edited by: Richard Baschera 2019-05-06 15:28:26 |
Pop. 1.25%
|
| Stoliaroff, A., Jobic, S. & Latouche, C. (2018) PyDEF 2.0: An Easy to Use Post-treatment Software for Publishable Charts Featuring a Graphical User Interface. J. Comput. Chem. 39 2251–2261. |
|
| Last edited by: Richard Baschera 2018-12-20 08:30:32 |
Pop. 1.25%
|
| Takacs, E., Escande, A., Vanthuyne, N., Roussel, C., Lescop, C., Guinard, E., Latouche, C., Boucekkine, A., Crassous, J., Réau, R. & Hissler, M. (2012) Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties. Chem. Commun. 48 6705–6707. |
|
| Last edited by: Richard Baschera 2017-03-06 13:48:57 |
Pop. 1%
|
| Thefioux, Y., Cordier, M., Massuyeau, F., Latouche, C., Martineau-Corcos, C. & Perruchas, S. (2020) Polymorphic Copper Iodide Anions: Luminescence Thermochromism and Mechanochromism of (PPh4)2[Cu2I4]. Inorg. Chem. 59 5768–5780. |
|
| Last edited by: Richard Baschera 2020-04-24 10:27:51 |
Pop. 1.25%
|
| Utrera-Melero, R., Cordier, M., Massuyeau, F., Mevellec, J.-Y., Rakhmatullin, A., Martineau-Corcos, C., Latouche, C. & Perruchas, S. (2023) Cubane Dimerization: Cu4 vs Cu8 Copper Iodide Clusters. Inorg. Chem. 62 18157–18171. |
|
| Last edited by: Richard Baschera 2023-11-30 16:09:20 |
Pop. 3.75%
|
| Utrera-Melero, R., Huitorel, B., Cordier, M., Mevellec, J.-Y., Massuyeau, F., Latouche, C., Martineau-Corcos, C. & Perruchas, S. (2020) Combining Theory and Experiment to Get Insight into the Amorphous Phase of Luminescent Mechanochromic Copper Iodide Clusters. Inorg. Chem. 59 13607–13620. |
|
| Last edited by: Richard Baschera 2020-11-17 13:51:02 |
Pop. 1.25%
|
