Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
Instituto Venezolano de Investigaciones Científicas
San Antonio de Los Altos, VenezuelaPublicaciones en colaboración con investigadores/as de Instituto Venezolano de Investigaciones Científicas (35)
2022
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A kinetic model for the equilibrium dynamics of absorption and scattering processes in four-wave mixing spectroscopy
AIP Advances, Vol. 12, Núm. 6
2020
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Coherence preservation and electron-phonon interaction in electron transfer in DNA
Journal of Chemical Physics, Vol. 153, Núm. 16
2019
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Intrinsic Rashba coupling due to hydrogen bonding in DNA
Journal of Chemical Physics, Vol. 151, Núm. 12
2018
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Spin-orbit coupling modulation in DNA by mechanical deformations
Chimia, Vol. 72, Núm. 6, pp. 411-417
2017
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Measuring the Spin-Polarization Power of a Single Chiral Molecule
Small, Vol. 13, Núm. 2
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
2015
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Continuum model for chiral induced spin selectivity in helical molecules
Journal of Chemical Physics, Vol. 142, Núm. 19
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
2013
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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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Non-Born-Oppenheimer electronic and nuclear densities for a Hooke-Calogero three-particle model: Non-uniqueness of density-derived molecular structure
Journal of Chemical Physics, Vol. 136, Núm. 8
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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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Kinetic energy functionals: Exact ones from analytic model wave functions and approximate ones in orbital-free molecular dynamics
Condensed Matter Theories (World Scientific Publishing Co.), pp. 261-273
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Model for a biexciton in a lateral quantum dot based on exact solutions for the Hookean H2 molecule. I. Theoretical aspects
International Journal of Quantum Chemistry, Vol. 111, Núm. 7-8, pp. 1808-1818
2010
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Kinetic energy functionals: Exact ones from analytic model wave functions and approximate ones in orbital-free molecular dynamics
International Journal of Modern Physics B
2009
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Chiral electron transport: Scattering through helical potentials
Journal of Chemical Physics, Vol. 131, Núm. 1
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
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On the formation of suspended noble-metal monatomic chains
Physical Review B - Condensed Matter and Materials Physics, Vol. 78, Núm. 11
2006
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Exact non-Born-Oppenheimer wave function for the Hooke-Calogero model of the H2 molecule : AA useful exact molecular model for electron correlation studies
European Physical Journal D, Vol. 37, Núm. 3, pp. 351-359
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Exact non-Born-Oppenheimer wave functions for three-particle Hookean systems with arbitrary masses
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 74, Núm. 4