Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Universidad Central de Venezuela
Caracas, VenezuelaPublicaciones en colaboración con investigadores/as de Universidad Central de Venezuela (58)
2023
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A Computational Chemistry Approach to the Molecular Design of SiO2 Nanoparticles Coated with Stearic Acid and Sodium Stearate in Ethanol Solvent.
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 679
2018
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Spin-orbit coupling modulation in DNA by mechanical deformations
Chimia, Vol. 72, Núm. 6, pp. 411-417
2016
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Effective spin-orbit couplings in an analytical tight-binding model of DNA: Spin filtering and chiral spin transport
Physical Review B, Vol. 93, Núm. 15
2014
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Inelastic electron scattering from a helical potential: Transverse polarization and the structure factor in the single scattering approximation
Journal of Physics Condensed Matter, Vol. 26, Núm. 1
2012
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A computational analysis of non-covalent interactions between aromatic compounds
Journal of Computational Methods in Sciences and Engineering
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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
2009
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A general algorithm using Mathematica 2.0 for calculting divo potential interactions and stability ratios in spherical colloidal particle systems
Journal of Computational Methods in Sciences and Engineering, Vol. 9, Núm. 4-6, pp. 223-240
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Correlations between the maximum parameters of DLVO interaction energy curves and the electrolyte concentration
Journal of Computational Methods in Sciences and Engineering, Vol. 9, Núm. 4-6, pp. 241-256
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Gold-coated cementite nanoparticles: An oxidation-resistant alternative to α-Iron
Chemistry of Materials, Vol. 21, Núm. 23, pp. 5594-5600
2008
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Dipole orientation and surface cluster size effects on chemisorption- induced magnetism: A DFT study of the interaction of gold-thiopolypeptide
Journal of Physical Chemistry A, Vol. 112, Núm. 40, pp. 9771-9783
2007
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Laser-induced nonlinear response in photoassisted resonant electronic transport
Journal of Chemical Physics, Vol. 127, Núm. 15
2006
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A computational study of the stability ratios of spherical coloidal particles
Journal of Molecular Structure: THEOCHEM, Vol. 769, Núm. 1-3, pp. 165-170
2005
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A simple model for laser-electrode interaction and its role in photo-assisted electron transport processes in molecular interfaces
Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 38, Núm. 21, pp. 3779-3794
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Current and noise in a model of an alternating current scanning tunneling microscope molecule-metal junction
Journal of Chemical Physics, Vol. 122, Núm. 14
2004
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A quasimolecular approach to the conductance of molecule-metal junctions: Theory and application to voltage-induced conductance switching
Journal of Physical Chemistry B, Vol. 108, Núm. 48, pp. 18414-18420
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Entangled electronic state via an interacting quantum dot
Europhysics Letters, Vol. 66, Núm. 5, pp. 624-630
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Laser-assisted conductance of molecular wires: Two-photon contributions
International Journal of Quantum Chemistry
2003
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A Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers
Annals of the New York Academy of Sciences
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Inclusion of non-orthogonality on the valence bond charge-transfer model for nonlinear optical properties of push—pull molecules
Molecular Physics, Vol. 101, Núm. 12, pp. 1805-1811
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Molecular wire junctions: Tuning the conductance
Journal of Physical Chemistry B, Vol. 107, Núm. 1, pp. 91-95