Comparative performance of theoretical tools in order to quantify the effect of the electric potential on the vibrational wavenumbers and intensities of the SERS of 2‐methylpyrazine adsorbed on a nanostructured silver electrode
Valdivia, Samuel, Aranda, Daniel, Soto, Juan, Otero, Juan Carlos, López‐Tocón, Isabel
Published in Journal of Raman spectroscopy (01.02.2023)
Published in Journal of Raman spectroscopy (01.02.2023)
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Journal Article
Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential
Valdivia, Samuel, García-González, Francisco, Aranda, Daniel, Ávila Ferrer, Francisco J., López-Tocón, Isabel, Soto, Juan, Otero, Juan Carlos
Published in Journal of physical chemistry. C (01.08.2024)
Published in Journal of physical chemistry. C (01.08.2024)
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Journal Article
Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver Electrode
Valdivia, Samuel, Aranda, Daniel, Ferrer, Francisco José Avila, Soto, Juan, López-Tocón, Isabel, Otero, Juan C
Published in Journal of physical chemistry. C (13.08.2020)
Published in Journal of physical chemistry. C (13.08.2020)
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Journal Article
Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms
Aranda, Daniel, García-González, Francisco, Avila Ferrer, Francisco José, López-Tocón, Isabel, Soto, Juan, Otero, Juan Carlos
Published in Journal of chemical theory and computation (08.11.2022)
Published in Journal of chemical theory and computation (08.11.2022)
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Journal Article
Building hot spots in different plasmonic nanoparticles from a cruciform bifunctional dipyridine anthracene
Imbarack, Elizabeth, Sánchez‐González, Rodrigo, Soto, Juan Pablo, Leyton, Patricio, López‐Tocón, Isabel, Soto, Juan, Sanchez‐Cortes, Santiago, Otero, Juan Carlos, Campos‐Vallette, Marcelo
Published in Journal of Raman spectroscopy (01.06.2019)
Published in Journal of Raman spectroscopy (01.06.2019)
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Journal Article
A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles
López-Tocón, Isabel, Valdivia, Samuel, Soto, Juan, Otero, Juan Carlos, Muniz-Miranda, Francesco, Menziani, Maria Cristina, Muniz-Miranda, Maurizio
Published in Nanomaterials (Basel, Switzerland) (28.08.2019)
Published in Nanomaterials (Basel, Switzerland) (28.08.2019)
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Journal Article
Franck–Condon Dominates the Surface-Enhanced Raman Scattering of 3‑Methylpyridine: Propensity Rules of the Charge-Transfer Mechanism under Reduced Symmetry
Centeno, Silvia P, López-Tocón, Isabel, Roman-Perez, Jessica, Arenas, Juan F, Soto, Juan, Otero, Juan C
Published in Journal of physical chemistry. C (08.11.2012)
Published in Journal of physical chemistry. C (08.11.2012)
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Journal Article
Sensing Bisphenol A by Means of Surface-Enhanced Raman Spectroscopy and DFT Calculations to Elucidate the Enhancement Mechanism That Dominates the Spectrum
De Souza, Michele Lemos, Valdivia, Samuel, Otero, Juan Carlos, López-Tocón, Isabel
Published in Chemosensors (01.01.2023)
Published in Chemosensors (01.01.2023)
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Journal Article
Comparative Performance of Citrate, Borohydride, Hydroxylamine and β-Cyclodextrin Silver Sols for Detecting Ibuprofen and Caffeine Pollutants by Means of Surface-Enhanced Raman Spectroscopy
Souza, Michele Lemos de, Otero, Juan Carlos, López-Tocón, Isabel
Published in Nanomaterials (Basel, Switzerland) (25.11.2020)
Published in Nanomaterials (Basel, Switzerland) (25.11.2020)
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Journal Article
Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver Surface
Aranda, Daniel, Valdivia, Samuel, Soto, Juan, López-Tocón, Isabel, Avila, Francisco J, Otero, Juan C
Published in Frontiers in chemistry (05.06.2019)
Published in Frontiers in chemistry (05.06.2019)
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Journal Article
Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte-Nanosystem Interactions
Roschi, Eleonora, Gellini, Cristina, Ricci, Marilena, Sanchez-Cortes, Santiago, Focardi, Claudia, Neri, Bruno, Otero, Juan Carlos, López-Tocón, Isabel, Smulevich, Giulietta, Becucci, Maurizio
Published in Nanomaterials (Basel, Switzerland) (30.03.2021)
Published in Nanomaterials (Basel, Switzerland) (30.03.2021)
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Journal Article
Huge Energy Gain in Metal-to-Molecule Charge Transfer Processes: A Combined Effect of an Electrical Capacitive Enhancement in Nanometer-Size Hot Spots and the Electronic Structure of the Surface Complex
Roman-Perez, Jessica, Ruano, Cristina, Centeno, Silvia P, López-Tocón, Isabel, Arenas, Juan F, Soto, Juan, Otero, Juan C
Published in Journal of physical chemistry. C (06.02.2014)
Published in Journal of physical chemistry. C (06.02.2014)
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Journal Article
Evidence as conformational molecular switch of 1,4-bis(4-vinylpyridyl)benzene adsorbed on a nanostructured silver surface: A synergetic study of femtosecond transient absorption spectra, electrochemical SERS records and DFT calculations
López-Tocón, Isabel, García-Castro, Miguel, Otero, Juan Carlos
Published in Applied surface science (30.11.2024)
Published in Applied surface science (30.11.2024)
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Journal Article
Selection Rules of the Charge Transfer Mechanism of Surface-Enhanced Raman Scattering: The Effect of the Adsorption on the Relative Intensities of Pyrimidine Bonded to Silver Nanoclusters
Centeno, Silvia P, López-Tocón, Isabel, Arenas, Juan F, Soto, Juan, Otero, Juan C
Published in The journal of physical chemistry. B (03.08.2006)
Published in The journal of physical chemistry. B (03.08.2006)
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Journal Article
Trace Detection of Triphenylene by Surface Enhanced Raman Spectroscopy Using Functionalized Silver Nanoparticles with Bis-Acridinium Lucigenine
López-Tocón, Isabel, Otero, Juan Carlos, Arenas, Juan Francisco, García-Ramos, José Vicente, Sánchez-Cortés, Santiago
Published in Langmuir (18.05.2010)
Published in Langmuir (18.05.2010)
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Journal Article
Voltage selection of physisorbed or chemisorbed 4-cyanobenzoate on a nanostructured silver electrode and the dual electronic structure of charged metal–molecule hybrids
Valdivia, Samuel, Avila, Francisco José, Otero, Juan Carlos, López-Tocón, Isabel
Published in Applied surface science (30.03.2022)
Published in Applied surface science (30.03.2022)
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Journal Article
An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossing
Aranda, Daniel, Avila, Francisco J, López-Tocón, Isabel, Arenas, Juan F, Otero, Juan C, Soto, Juan
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Journal Article
Charge transfer at the nanoscale and the role of the out-of-plane vibrations in the selection rules of surface-enhanced Raman scattering
Aranda, Daniel, Valdivia, Samuel, Avila, Francisco J, Soto, Juan, Otero, Juan C, López-Tocón, Isabel
Published in Physical chemistry chemical physics : PCCP (28.11.2018)
Published in Physical chemistry chemical physics : PCCP (28.11.2018)
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