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Chiral molecular films as electron polarizers and polarization modulators
ArticleAbstract: Recent experiments on electron scattering through molecular films have shown that chiral molecules cPalabras claves:Autores:Ernesto Medina Dagger, Floralba López, Mujica V., Ratner M.Fuentes:googlescopusCoherence preservation and electron-phonon interaction in electron transfer in DNA
ArticleAbstract: We analyze the influence of electron-phonon (e-ph) interaction in a model for electron transfer (ET)Palabras claves:Autores:Ernesto Medina Dagger, Mayra Peralta, Mujica V., Solmar Varela, Steven FeijooFuentes:googlescopusA Simple Theoretical Model to Study the Voltage Dependence of the Electronic Structure of Phenyl Ethylene Oligomers
Conference ObjectAbstract: Although very few measurements have appeared in the open literature and there seems to be a controvePalabras claves:Charge rearrangement, DFT, molecular electronics, Negative differential resistanceAutores:Gonzalez C.A., Marquez M., Mujica V., Simon-Manso Y., Yosslen R. ArayFuentes:scopusContinuum model for chiral induced spin selectivity in helical molecules
ArticleAbstract: A minimal model is exactly solved for electron spin transport on a helix. Electron transport is assuPalabras claves:Autores:Berche B., Ernesto Medina Dagger, Finkelstein-Shapiro D., González-Arraga L.A., Mujica V.Fuentes:googlescopusFormulation of N‐ and v‐representable density functional theory. IV. Non‐Born–Oppenheimer approach
ArticleAbstract: Local‐scaling transformations are employed in order to formulate a desity functional theory where boPalabras claves:Autores:Eduardo V. Ludeña, Kryachko E.S., Mujica V.Fuentes:scopusInclusion of non-orthogonality on the valence bond charge-transfer model for nonlinear optical properties of push—pull molecules
ArticleAbstract: In models based on valence bond theory for pbkp_redicting nonlinear optical properties of push-pullPalabras claves:Autores:Gorayeb M., José Luis Paz, Mujica V., Squitieri E.Fuentes:scopusMeasuring the Spin-Polarization Power of a Single Chiral Molecule
ArticleAbstract:Palabras claves:alpha-helical peptides, chiral transport, single-molecule wires, spin-polarization power, spin-polarized transmissionAutores:Aragonès A.C., Díez-Pérez I., Ernesto Medina Dagger, Ferrer-Huerta M., Gimeno N., Giralt E., Mujica V., Palma J.L., Tao N., Teixidó M., Ugalde J.M.Fuentes:googlescopusInsight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission
ArticleAbstract: The chiral-induced spin selectivity (CISS) effect, which describes the spin-filtering ability of diaPalabras claves:Autores:Ernesto Medina Dagger, Herrmann C., Mujica V., Solmar Varela, Zöllner M.S.Fuentes:scopusIntramolecular coupling effect in the refractive index for a simple three‐level model of molecules diluted in water
ArticleAbstract: We have calculated the first‐, second‐, and third‐order contribution to the refractive index of a diPalabras claves:Autores:Garcia‐Sucre M., José Luis Paz, Mujica V., Squitieri E.Fuentes:scopusKohn-Sham theory and the representability problem
ArticleAbstract: The representability problems related to the one-particle density ρ{variant}(1) and, more generally,Palabras claves:Autores:Eduardo V. Ludeña, Mujica V.Fuentes:scopus