Publicacións (27) Publicacións de NICOLAS RAMOS BERDULLAS

2023

  1. On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis

    Membranes, Vol. 13, Núm. 1

  2. Simulating the Detection of Dioxin-like Pollutants with 2D Surface-Enhanced Raman Spectroscopy Using h-BNC Substrates

    Chemosensors, Vol. 11, Núm. 5

2022

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

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 266

2021

  1. Deciphering the Chemical Basis of Fluorescence of a Selenium-Labeled Uracil Probe when Bound at the Bacterial Ribosomal A-Site

    Chemistry - A European Journal, Vol. 27, Núm. 15, pp. 4927-4931

  2. On the adsorption affinity of graphene and white graphene sheets by dioxin-like pollutants

    International Journal of Quantum Chemistry, Vol. 121, Núm. 9

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

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 8, pp. 4777-4783

2019

  1. Anti-ohmic single molecule electron transport: Is it feasible?

    Nanoscale Advances, Vol. 1, Núm. 5, pp. 1901-1913

  2. Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation

    Nano Letters, Vol. 19, Núm. 10, pp. 7394-7399

  3. Graphene molecules as platforms for SERS detection: A future perspective

    Handbook of Graphene (Wiley Blackwell), pp. 431-464

2018

  1. Can aromaticity enhance the electron transport in molecular wires?

    Organic Electronics, Vol. 61, pp. 177-184

  2. Transmission channels in the time-energy uncertainty relation approach to molecular conductance: Symmetry rules for the electron transport in molecules

    International Journal of Quantum Chemistry, Vol. 118, Núm. 20

2016

  1. A computational study of the interaction of graphene structures with biomolecular units

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 22, pp. 15312-15321

  2. Can single graphene nanodisks be used as Raman enhancement platforms?

    RSC Advances, Vol. 6, Núm. 75, pp. 71397-71403

  3. Revisiting the mechanism and the influence of the excitation wavelength on the surface-enhanced Raman scattering of the pyridine-Ag-20 system

    9TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2014)

  4. Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers

    9TH CONGRESS ON ELECTRONIC STRUCTURE: PRINCIPLES AND APPLICATIONS (ESPA 2014)

  5. Understanding conductivity in molecular switches: A real space approach in octaphyrins

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 17, pp. 11829-11838

2015

  1. Exploring the versatility of the gCH topological electronegativity estimator

    Computational and Theoretical Chemistry, Vol. 1053, pp. 85-89

  2. On the mechanism responsible of Raman enhancement on carbon allotropes surfaces: The role of molecule-surface vibrational coupling in SERS

    Journal of Raman Spectroscopy, Vol. 46, Núm. 12, pp. 1205-1214

  3. Resonance assisted electron transport in oligophenyl conductors

    Computational and Theoretical Chemistry, Vol. 1053, pp. 263-269

  4. Revisiting the mechanism and the influence of the excitation wavelength on the surface-enhanced Raman scattering of the pyridine–Ag20 system

    Theoretical Chemistry Accounts, Vol. 134, Núm. 5, pp. 1-13