Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Argonne National Laboratory
Lemont, Estados UnidosPublicaciones en colaboración con investigadores/as de Argonne National Laboratory (29)
2016
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An electronic cotunneling model of STM-induced unimolecular surface reactions
Nano and Molecular Electronics Handbook (CRC Press), pp. 26.1-26.8
2014
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A bioinspired redox relay that mimics radical interactions of the Tyr-His pairs of photosystem II
Nature Chemistry, Vol. 6, Núm. 5, pp. 423-428
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Chemically induced magnetism in atomically precise gold clusters
Small, Vol. 10, Núm. 5, pp. 907-911
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Probing Raman enhancement in a dopamine-Ti2O4 hybrid using stretched molecular geometries
Journal of Physical Chemistry A, Vol. 118, Núm. 7, pp. 1196-1202
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SERS as a probe of charge-transfer pathways in hybrid dye/molecule-metal oxide complexes
Journal of Physical Chemistry C, Vol. 118, Núm. 7, pp. 3774-3782
2013
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CO2 preactivation in photoinduced reduction via surface functionalization of TiO2 nanoparticles
Journal of Physical Chemistry Letters, Vol. 4, Núm. 3, pp. 475-479
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Chemistry at molecular junctions: Rotation and dissociation of O 2 on the Ag(110) surface induced by a scanning tunneling microscope
Journal of Chemical Physics, Vol. 139, Núm. 7
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Gated-controlled rectification of a self-assembled monolayer-based transistor
Journal of Physical Chemistry C, Vol. 117, Núm. 16, pp. 8468-8474
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Kinetic energy dependence of spin filtering of electrons transmitted through organized layers of DNA
Journal of Physical Chemistry C, Vol. 117, Núm. 43, pp. 22307-22313
2012
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Chiral molecular films as electron polarizers and polarization modulators
EPL, Vol. 99, Núm. 1
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Simulación de adsorción en superficies a partir de cálculos ab initio sobre nano-clusters de átomos de oro
Revista Mexicana de Fisica, Vol. 58, Núm. 4, pp. 317-323
2011
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A stochastic surrogate Hamiltonian approach of coherent and incoherent exciton transport in the Fenna-Matthews-Olson complex
Journal of Chemical Physics, Vol. 135, Núm. 7
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Quantum confinement effects on the surface enhanced Raman spectra of hybrid systems molecule-TiO2 nanoparticles
International Journal of Quantum Chemistry, Vol. 111, Núm. 7-8, pp. 1659-1670
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Stability and quenching of plasmon resonance absorption in magnetic gold nanoparticles
Journal of Physical Chemistry Letters, Vol. 2, Núm. 23, pp. 2996-3001
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Surface-enhanced Raman scattering on semiconducting oxide nanoparticles: Oxide nature, size, solvent, and pH effects
Journal of Physical Chemistry C, Vol. 115, Núm. 18, pp. 8994-9004
2010
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Ghost transmission: How large basis sets can make electron transport calculations worse
Journal of Chemical Physics, Vol. 132, Núm. 2
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Mechanistic studies into the Raman enhancement of enediolsemiconducting nanoparticle conjugates and their use in biological applications
Proceedings of SPIE - The International Society for Optical Engineering
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Photoinduced kinetics of SERS in bioinorganic hybrid systems. A case study: Dopamine-TiO2
Journal of Physical Chemistry B, Vol. 114, Núm. 45, pp. 14642-14645
2009
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Chiral electron transport: Scattering through helical potentials
Journal of Chemical Physics, Vol. 131, Núm. 1
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SERS of semiconducting nanoparticles (TiO 2 hybrid composites)
Journal of the American Chemical Society, Vol. 131, Núm. 17, pp. 6040-6041