Nicolás Ramos‐Berdullas

Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals: the pyridine case

Nicolás Ramos‐Berdullas, Ignacio Pérez‐Juste, Christian Van Alsenoy et al. · Physical Chemistry Chemical Physics · 2014 · 65 citations

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

Diego López‐Carballeira, Nicolás Ramos‐Berdullas, Ignacio Pérez‐Juste et al. · Physical Chemistry Chemical Physics · 2016 · 28 citations

Electronic Properties of <i>p</i>‐Xylylene and <i>p</i>‐Phenylene Chains Subjected to Finite Bias Voltages: A New Highly Conducting Oligophenyl Structure

Nicolás Ramos‐Berdullas, Marcos Mandado · Chemistry - A European Journal · 2013 · 27 citations

Engineering, Organic Electronics, Computational Chemistry +20

Analyzing the electric response of molecular conductors using “electron deformation” orbitals and occupied‐virtual electron transfer

Marcos Mandado, Nicolás Ramos‐Berdullas · Journal of Computational Chemistry · 2014 · 25 citations

Engineering, Computational Chemistry, Chemistry +16

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

Sara Gil‐Guerrero, Ángeles Peña‐Gallego, Nicolás Ramos‐Berdullas et al. · Nano Letters · 2019 · 24 citations · Full text

Engineering, Expected Exponential Decay, Computational Chemistry +19