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Cristián G. Sánchez
Cristián G. Sánchez
其他姓名Cristián Gabriel Sánchez
在 mendoza-conicet.gob.ar 的电子邮件经过验证 - 首页
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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), 2020
7802020
Catalytic Role of Metal Oxides in Gold-Based Catalysts: A First Principles Study of CO Oxidation on TiO~ 2 Supported Au
ZP Liu, XQ Gong, J Kohanoff, C Sanchez, P Hu
Physical review letters 91 (26; PART 1), 266102-266102, 2003
4992003
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
1212004
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
952006
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), 2006
912006
Field-evaporation from first-principles
CG Sánchez*, AY Lozovoi, A Alavi
Molecular Physics 102 (9-10), 1045-1055, 2004
902004
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
782012
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
762007
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
752016
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
702005
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
692014
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
662012
Molecular reorientation of water adsorbed on charged Ag (1 1 1) surfaces
CG Sánchez
Surface Science 527 (1-3), 1-11, 2003
622003
Plasmon-induced hot-carrier generation differences in gold and silver nanoclusters
OA Douglas-Gallardo, M Berdakin, T Frauenheim, CG Sánchez
Nanoscale 11 (17), 8604-8615, 2019
582019
Optical properties of graphene nanoflakes: Shape matters
C Mansilla Wettstein, FP Bonafé, MB Oviedo, CG Sánchez
The Journal of Chemical Physics 144 (22), 2016
552016
A real-time time-dependent density functional tight-binding implementation for semiclassical excited state electron–nuclear dynamics and pump–probe spectroscopy simulations
FP Bonafé, B Aradi, B Hourahine, CR Medrano, FJ Hernández, ...
Journal of Chemical Theory and Computation 16 (7), 4454-4469, 2020
532020
Dynamical simulation of the optical response of photosynthetic pigments
MB Oviedo, CFA Negre, CG Sánchez
Physical Chemistry Chemical Physics 12 (25), 6706-6711, 2010
522010
An embedded atom approach to underpotential deposition phenomena
CG Sanchez, MG Del Popolo, EPM Leiva
Surface science 421 (1-2), 59-72, 1999
521999
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), 2014
492014
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
482013
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