| Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on Supported Au ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu Physical review letters 91 (26), 266102, 2003 | 462 | 2003 |
| Beyond Ehrenfest: correlated non-adiabatic molecular dynamics AP Horsfield, DR Bowler, AJ Fisher, TN Todorov, CG Sánchez Journal of Physics: Condensed Matter 16 (46), 8251, 2004 | 109 | 2004 |
| DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 124101, 2020 | 90 | 2020 |
| The transfer of energy between electrons and ions in solids AP Horsfield, DR Bowler, H Ness, CG Sánchez, TN Todorov, AJ Fisher Reports on Progress in Physics 69 (4), 1195, 2006 | 81 | 2006 |
| Field-evaporation from first-principles CG Sánchez*, AY Lozovoi, A Alavi Molecular Physics 102 (9-10), 1045-1055, 2004 | 75 | 2004 |
| Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach? CG Sánchez, M Stamenova, S Sanvito, DR Bowler, AP Horsfield, ... The Journal of chemical physics 124 (21), 214708, 2006 | 73 | 2006 |
| Dynamical simulation of inelastic quantum transport EJ McEniry, DR Bowler, D Dundas, AP Horsfield, CG Sánchez, ... Journal of Physics: Condensed Matter 19 (19), 196201, 2007 | 68 | 2007 |
| Correlated electron–ion dynamics: the excitation of atomic motion by energetic electrons AP Horsfield, DR Bowler, AJ Fisher, TN Todorov, CG Sánchez Journal of Physics: Condensed Matter 17 (30), 4793, 2005 | 67 | 2005 |
| Quantum Dynamical Simulations as a Tool for Predicting Photoinjection Mechanisms in Dye-Sensitized TiO2 Solar Cells MB Oviedo, X Zarate, CFA Negre, E Schott, R Arratia-Pérez, CG Sánchez The journal of physical chemistry letters 3 (18), 2548-2555, 2012 | 60 | 2012 |
| Photoelectrochemical hole injection revealed in polyoxotitanate nanocrystals functionalized with organic adsorbates CFA Negre, KJ Young, MB Oviedo, LJ Allen, CG Sánchez, ... Journal of the American Chemical Society 136 (46), 16420-16429, 2014 | 54 | 2014 |
| Molecular reorientation of water adsorbed on charged Ag (1 1 1) surfaces CG Sánchez Surface Science 527 (1-3), 1-11, 2003 | 54 | 2003 |
| An embedded atom approach to underpotential deposition phenomena CG Sanchez, MG Del Popolo, EPM Leiva Surface science 421 (1-2), 59-72, 1999 | 51 | 1999 |
| Quantum dynamics of light-induced charge injection in a model dye–nanoparticle complex CFA Negre, VC Fuertes, MB Oviedo, FY Oliva, CG Sánchez The Journal of Physical Chemistry C 116 (28), 14748-14753, 2012 | 50 | 2012 |
| Atomistic insights into chemical interface damping of surface plasmon excitations in silver nanoclusters OA Douglas-Gallardo, M Berdakin, CG Sánchez The Journal of Physical Chemistry C 120 (42), 24389-24399, 2016 | 46 | 2016 |
| Dynamical simulation of the optical response of photosynthetic pigments MB Oviedo, CFA Negre, CG Sánchez Physical Chemistry Chemical Physics 12 (25), 6706-6711, 2010 | 44 | 2010 |
| A theoretical study of the optical properties of nanostructured TiO2 VC Fuertes, CFA Negre, MB Oviedo, FP Bonafé, FY Oliva, CG Sánchez Journal of Physics: Condensed Matter 25 (11), 115304, 2013 | 40 | 2013 |
| Cu underpotential deposition on Au (111) and Au (100). Can this be explained in terms of the energetics of the Cu/Au system? C Sánchez, EPM Leiva Electrochimica acta 45 (4-5), 691-697, 1999 | 38 | 1999 |
| Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework UN Morzan, FF Ramírez, MB Oviedo, CG Sánchez, DA Scherlis, ... The Journal of chemical physics 140 (16), 164105, 2014 | 37 | 2014 |
| Stability of Sr adatom model structures for SrTiO3 (001) surface reconstructions LM Liborio, CG Sánchez, AT Paxton, MW Finnis Journal of Physics: Condensed Matter 17 (23), L223, 2005 | 35 | 2005 |
| Quantum dynamical simulations of local field enhancement in metal nanoparticles CFA Negre, EM Perassi, EA Coronado, CG Sanchez Journal of Physics: Condensed Matter 25 (12), 125304, 2013 | 34 | 2013 |
