| 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., 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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| 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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| Latouche, C. & Barone, V. (2014) Computational Chemistry Meets Experiments for Explaining the Behavior of Bibenzyl: A Thermochemical and Spectroscopic (Infrared, Raman, and NMR) Investigation. Journal of chemical theory and computation, 10 5586–5592. |
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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., 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. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| 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. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| 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. |
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| Last edited by: Richard Baschera 2018-02-08 09:18:40 |
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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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| 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. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| 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. |
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| Last edited by: Richard Baschera 2016-08-24 13:19:38 |
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| 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. |
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| Added by: Richard Baschera 2016-03-29 08:07:00 |
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| 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. |
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| Last edited by: Richard Baschera 2018-07-24 12:46:42 |
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| Vazart, F., Latouche, C., Skouteris, D., Balucani, N. & Barone, V. (2015) Cyanomethanimine Isomers in Cold Interstellar Clouds: Insights from Electronic Structure and Kinetic Calculations. The Astrophysical Journal, 810 111. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Vazart, F., Latouche, C., Bloino, J. & Barone, V. (2015) Vibronic Coupling Investigation to Compute Phosphorescence Spectra of Pt(II) Complexes. Inorganic Chemistry, 54 5588–5595. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Vazart, F., Calderini, D., Skouteris, D., Latouche, C. & Barone, V. (2015) Reassessment of the Thermodynamic, Kinetic, and Spectroscopic Features of Cyanomethanimine Derivatives: A Full Anharmonic Perturbative Treatment. Journal of chemical theory and computation, 11 1165–1171. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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| Vazart, F., Latouche, C., Cimino, P. & Barone, V. (2015) Accurate Infrared (IR) Spectra for Molecules Containing the C? N Moiety by Anharmonic Computations with the Double Hybrid B2PLYP Density Functional. Journal of chemical theory and computation, 11 4364–4369. |
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| Added by: Richard Baschera 2016-09-27 07:35:11 |
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