Confinement on the optical response in h-BNCs: Towards highly efficient SERS-active 2D substrates von Mandado, Marcos, Ramos-Berdullas, Nicolás

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Analyzing the electric response of molecular conductors using "electron deformation" orbitals and occupied-virtual electron transfer von Mandado, Marcos, Ramos-Berdullas, Nicolás

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Assessing the Reversed Exponential Decay of the Electrical Conductance in Molecular Wires: The Undeniable Effect of Static Electron Correlation von Gil-Guerrero, Sara, Peña-Gallego, Ángeles, Ramos-Berdullas, Nicolás, Martín Pendás, Ángel, Mandado, Marcos

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Aromaticity of Closed-Shell Charged Polybenzenoid Hydrocarbons von Ramos-Berdullas, Nicolás, Radenković, Slavko, Bultinck, Patrick, Mandado, Marcos

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Resonance assisted electron transport in oligophenyl conductors von Ramos-Berdullas, Nicolás, Ferro-Costas, David, Mandado, Marcos

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On the adsorption affinity of graphene and white graphene sheets by dioxin‐like pollutants von Alvarado, Raúl, Ramos‐Berdullas, Nicolás, Mandado, Marcos

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On the mechanism responsible of Raman enhancement on carbon allotropes surfaces: the role of molecule-surface vibrational coupling in SERS von Ramos-Berdullas, Nicolás, López-Carballeira, Diego, Pérez-Juste, Ignacio, Mandado, Marcos

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The effect of spin polarization on the electron transport of molecular wires with diradical character von Ramos-Berdullas, Nicolás, Gil-Guerrero, Sara, Peña-Gallego, Ángeles, Mandado, Marcos

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Transmission channels in the time‐energy uncertainty relation approach to molecular conductance: Symmetry rules for the electron transport in molecules von Ramos‐Berdullas, Nicolás, Gil‐Guerrero, Sara, Mandado, Marcos

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Can aromaticity enhance the electron transport in molecular wires? von Gil-Guerrero, Sara, Ramos-Berdullas, Nicolás, Mandado, Marcos

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Theoretical study of the adsorption of aromatic units on carbon allotropes including explicit (empirical) DFT dispersion corrections and implicitly dispersion-corrected functionals... von Ramos-Berdullas, Nicolás, Pérez-Juste, Ignacio, Van Alsenoy, Christian, Mandado, Marcos

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Deciphering the Chemical Basis of Fluorescence of a Selenium‐Labeled Uracil Probe when Bound at the Bacterial Ribosomal A‐Site von Cardenas, Gustavo, Menger, Maximilian F. S. J., Ramos‐Berdullas, Nicolás, Sánchez‐Murcia, Pedro A.

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Electronic Properties of p-Xylylene and p-Phenylene Chains Subjected to Finite Bias Voltages: A New Highly Conducting Oligophenyl Structure von Ramos-Berdullas, Nicolas, Mandado, Marcos

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Revisiting the Calculation of I/V Profiles in Molecular Junctions Using the Uncertainty Principle von Ramos-Berdullas, Nicolás, Mandado, Marcos

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Simulating the Detection of Dioxin-like Pollutants with 2D Surface-Enhanced Raman Spectroscopy Using h-BNC Substrates von Alvarado, Raúl, Otero, Nicolás, Mandado, Marcos, Ramos-Berdullas, Nicolás

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EDA-NCI: A Scientific Software to Investigate Non-covalent Interactions Combining Classical Dynamic Simulations and QM/MM Calculations von Mandado, Marcos, Ramos-Berdullas, Nicolás

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On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis von Alvarado, Raúl, Cárdenas, Gustavo, Nogueira, Juan J, Ramos-Berdullas, Nicolás, Mandado, Marcos

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Study of electron transport in polybenzenoid chains covalently attached to gold atoms through unsaturated methylene linkers von Ramos-Berdullas, Nicolás, Graña, Ana M., Mandado, Marcos

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Anti-ohmic single molecule electron transport: is it feasible? von Gil-Guerrero, Sara, Ramos-Berdullas, Nicolás, Martín Pendás, Ángel, Francisco, Evelio, Mandado, Marcos

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A computational study of the interaction of graphene structures with biomolecular units von Carballeira, Diego López, Ramos-Berdullas, Nicolás, Pérez-Juste, Ignacio, Fajín, José Luis Cagide, Cordeiro, M. Natália D. S, Mandado, Marcos

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