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Multiscale approach to electron transport dynamics.
Bustamante CM, Ramírez FF, Sánchez CG, Scherlis DA. Bustamante CM, et al. Among authors: sanchez cg. J Chem Phys. 2019 Aug 28;151(8):084105. doi: 10.1063/1.5112372. J Chem Phys. 2019. PMID: 31470704
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
Characterization of ZnO as substrate for DSSC.
Mansilla Wettstein C , Sánchez CG . Mansilla Wettstein C , et al. Among authors: sanchez cg. Phys Chem Chem Phys. 2018 Aug 29;20(34):21910-21916. doi: 10.1039/c8cp01709c. Phys Chem Chem Phys. 2018. PMID: 30123900
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