Browsing by author "Ramos Berdullas, Nicolás"

doctoralThesis
Química Física
Programa de Doutoramento en Química Teórica e Modelización Computacional/Theoretical Chemistry and Computacional Modelling (RD 99/2011)

Browsing by author "Ramos Berdullas, Nicolás"

Anti-ohmic single molecule electron transport: is it feasible? ﻿

Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation ﻿

Can aromaticity enhance the electron transport in molecular wires? ﻿

Confinement on the optical response in h-BNCs: towards highly efficient SERS-active 2D substrates ﻿

The effect of spin polarization on the electron transport of molecular wires with diradical character ﻿

On the permeation of polychlorinated dibenzodioxins and dibenzofurans through lipid membranes: classical MD and hybrid QM/MM-EDA analysis ﻿

Simulating the detection of dioxin-like pollutants with 2D surface-enhanced Raman spectroscopy using h-BNC substrates ﻿

Theoretical-computational comparative study of the persistent organic pollutants 2,3,7,8-tetrachloro dibenzo-p-dioxin (TCDD) and 2,3,7,8-tetrachloro dibenzo furan (TCDF): adsorption, detection and permeability ﻿

El Repositorio Institucional de la Universidade de Vigo Investigo se difunde en:

Anti-ohmic single molecule electron transport: is it feasible?

Assessing the reversed exponential decay of the electrical conductance in molecular wires: the undeniable effect of static electron correlation

Can aromaticity enhance the electron transport in molecular wires?

Confinement on the optical response in h-BNCs: towards highly efficient SERS-active 2D substrates

The effect of spin polarization on the electron transport of molecular wires with diradical character

On the permeation of polychlorinated dibenzodioxins and dibenzofurans through lipid membranes: classical MD and hybrid QM/MM-EDA analysis

Simulating the detection of dioxin-like pollutants with 2D surface-enhanced Raman spectroscopy using h-BNC substrates

Theoretical-computational comparative study of the persistent organic pollutants 2,3,7,8-tetrachloro dibenzo-p-dioxin (TCDD) and 2,3,7,8-tetrachloro dibenzo furan (TCDF): adsorption, detection and permeability