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A theoretical study of the optical properties of nanostructured TiO2.
Fuertes VC, Negre CF, Oviedo MB, Bonafé FP, Oliva FY, Sánchez CG. Fuertes VC, et al. Among authors: sanchez cg. J Phys Condens Matter. 2013 Mar 20;25(11):115304. doi: 10.1088/0953-8984/25/11/115304. Epub 2013 Feb 14. J Phys Condens Matter. 2013. PMID: 23406993
Optical properties of graphene nanoflakes: Shape matters.
Mansilla Wettstein C, Bonafé FP, Oviedo MB, Sánchez CG. Mansilla Wettstein C, et al. Among authors: sanchez cg. J Chem Phys. 2016 Jun 14;144(22):224305. doi: 10.1063/1.4953172. J Chem Phys. 2016. PMID: 27306005
Plasmon-driven sub-picosecond breathing of metal nanoparticles.
Bonafé FP, Aradi B, Guan M, Douglas-Gallardo OA, Lian C, Meng S, Frauenheim T, Sánchez CG. Bonafé FP, et al. Among authors: sanchez cg. Nanoscale. 2017 Aug 31;9(34):12391-12397. doi: 10.1039/c7nr04536k. Nanoscale. 2017. PMID: 28829098
Simulation of Impulsive Vibrational Spectroscopy.
Hernández FJ, Bonafé FP, Aradi B, Frauenheim T, Sánchez CG. Hernández FJ, et al. Among authors: sanchez cg. J Phys Chem A. 2019 Mar 14;123(10):2065-2072. doi: 10.1021/acs.jpca.9b00307. Epub 2019 Feb 28. J Phys Chem A. 2019. PMID: 30767532
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. Hourahine B, et al. Among authors: sanchez cg. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. J Chem Phys. 2020. PMID: 32241125 Free article.
A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron-Nuclear Dynamics and Pump-Probe Spectroscopy Simulations.
Bonafé FP, Aradi B, Hourahine B, Medrano CR, Hernández FJ, Frauenheim T, Sánchez CG. Bonafé FP, et al. Among authors: sanchez cg. J Chem Theory Comput. 2020 Jul 14;16(7):4454-4469. doi: 10.1021/acs.jctc.9b01217. Epub 2020 Jun 23. J Chem Theory Comput. 2020. PMID: 32511909 Free article.
77 results