Marcos Mandado - Dissemin

All papers authored by Marcos Mandado

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2019 Sara Gil-Guerrero, Ángeles Peña-Gallego, Marcos Mandado

Detecting Molecular Plasmons by Means of Electron Density Descriptors

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Nicolás Ramos‐Berdullas, Nicolás Otero, Marcos Mandado

Graphene Molecules as Platforms for SERS Detection: A Future Perspective

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Sara Gil-Guerrero, Nicolás Otero

, Marta Queizán, Marcos Mandado Alonso

Potential Application of h-BNC Structures in SERS and SEHRS Spectroscopies: A Theoretical Perspective

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Nicolás Otero

, Panaghiotis Karamanis, Marcos Mandado

A new method to analyze and understand molecular linear and nonlinear optical responses via field-induced functions: a straightforward alternative to sum-over-states (SOS) analysis

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Sara Gil-Guerrero, Nicolás Ramos-Berdullas, Ángel Martín Pendás

, Evelio Francisco, Marcos Mandado

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

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Roberto Baigorri

, Javier Erro, Óscar Urrutia, José Manuel Martinez, Marcos Mandado

, Manuel Martín-Pastor

, José M. García-Mina

Both chemical and crystalline phase configuration influence the molecular features of humic acids in humic–calcium–phosphates fertilizers

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2018 Sara Gil-Guerrero, Nicolás Ramos-Berdullas

, Marcos Mandado

Can aromaticity enhance the electron transport in molecular wires?

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Nicolás Ramos-Berdullas, Sara Gil-Guerrero, Marcos Mandado

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

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2017 Ana S. Moura, José L. C. Fajín, Marcos Mandado

, Maria Natália D. S. Cordeiro

Ruthenium–Platinum Catalysts and Direct Methanol Fuel Cells (DMFC): A Review of Theoretical and Experimental Breakthroughs

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2016 Diego López-Carballeira, Nicolás Ramos-Berdullas, Ignacio Pérez-Juste, Marcos Mandado

Can single graphene nanodisks be used as Raman enhancement platforms?

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Diego López Carballeira, Nicolás Ramos-Berdullas, Ignacio Pérez-Juste, José Luis Cagide Fajín, M. Natália D. S. Cordeiro

, Marcos Mandado

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

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Tatiana Woller, Nicolas Ramos-Berdullas, Marcos Mandado

, Mercedes Alonso, F. de Proft, Frank De Proft, Julia Contreras-García

Understanding conductivity in molecular switches: a real space approach in octaphyrins

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2015 Ana S. Moura, Jose L. C. Fajín, Ana S. S. Pinto, Marcos Mandado

, M. Natália D. S. Cordeiro

Competitive Paths for Methanol Decomposition on Ruthenium: A DFT Study

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Nicolás Ramos‐Berdullas, Diego López‐Carballeira, Ignacio Pérez‐Juste, Marcos Mandado

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

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Nicolás Ramos-Berdullas, Diego López-Carballeira, Marcos Mandado

, Ignacio Pérez-Juste

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

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Nicolás Ramos-Berdullas, Ana M. Graña

, Marcos Mandado

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

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Marcos Mandado

, Nicolás Ramos-Berdullas

Tunable Aromaticity in Bicalicenes

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2014 Nicolás Ramos-Berdullas, Ignacio Perez-Juste, Marcos Mandado

, Christian Van Alsenoy

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

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Marta Sanchéz-Lozano, Marcos Mandado

, Ignacio Pérez-Juste, Jose M. Hermida-Ramón

Theoretical Vibrational Raman and Surface-Enhanced Raman Scattering Spectra of Water Interacting with Silver Clusters

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Nicolás Ramos-Berdullas, David Ferro-Costas, Marcos Mandado

Resonance assisted electron transport in oligophenyl conductors

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All papers authored by Marcos Mandado