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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,   
Last edited by: Richard Baschera 2022-11-25 13:06:38 Pop. 2%
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.   
Added by: Richard Baschera 2016-09-27 07:35:11 Pop. 0.75%
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., 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.   
Added by: Richard Baschera 2016-09-27 07:35:11 Pop. 0.75%
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.   
Added by: Richard Baschera 2016-09-27 07:35:11 Pop. 0.75%
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.   
Added by: Richard Baschera 2016-09-27 07:35:11 Pop. 1.25%
wikindx 4.2.2 ©2014 | Références totales : 2830 | Requêtes métadonnées : 49 | Exécution de script : 0.09359 secs | Style : Harvard | Bibliographie : Bibliographie WIKINDX globale