I. López‐Tocón

发表

Assignment of the vibrational spectrum of trimethylpyrazine

S. P. Centeno, J. F. Arenas, J. C. Otero, 2007 .

Scaled quantum mechanical force field of dimethylpyrazines: vibrational assignments

S. P. Centeno, J. F. Arenas, J. C. Otero, 2005 .

Surface-enhanced Raman scattering of 2,3-dimethylpyrazine adsorbed on silver electrode: selective enhancement explained through the charge transfer mechanism

S. P. Centeno, J. F. Arenas, J. C. Otero, 2004 .

Selection rules for the charge transfer enhancement mechanism in SERS: dependence of the intensities on the L-matrix

S. P. Centeno, J. C. Otero, J. Marcos, 2001 .

Resonant charge transfer on the nanoscale: studying doublet states of adsorbates by surface-enhanced Raman scattering

S. P. Centeno, J. L. Castro, J. F. Arenas, 2005 .

Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering.

S. Sánchez‐Cortés, C. Constantino, J. C. Otero, 2016, Journal of colloid and interface science.

Surface enhanced Raman scattering of trans-3-hydroxycinnamic acid adsorbed on silver nanoparticles

J. L. Castro, J. C. Otero, I. López-Tocón, 2008 .

NH2 inversion potential in the S0 and S1 electronic states of aniline: fit to the (ro-)vibrational data and comparison with ab initio and density functional results

E. Castellucci, R. Valle, J. C. Otero, 2000 .

INVERSION MOTION AND S1 EQUILIBRIUM GEOMETRY OF 4-FLUOROANILINE : MOLECULAR BEAM HIGH-RESOLUTION SPECTROSCOPY AND AB INITIO CALCULATIONS

E. Castellucci, W. Caminati, P. Salvi, 1999 .

DFT and CASPT2 study of two thermal reactions of nitromethane: C -N bond cleavage and nitro-to-nitrite isomerization. An example of the inverse symmetry breaking deficiency in density functional calculations of an homolytic dissociation

S. P. Centeno, J. F. Arenas, D. Peláez, 2003 .

Potential-energy surfaces related to the thermal decomposition of ethyl azide: The role of intersystem crossings

J. F. Arenas, J. C. Otero, J. Soto, 2000 .

Potential coupling of intramolecular to intermolecular modes: an ab initio study of the amino inversion and van der Waals motions in the aniline–argon complex

E. Castellucci, J. C. Otero, I. López-Tocón, 2001 .

The aniline-argon van der Waals complex: ab initio second-order Møller-Plesset study of the potential energy surface in the ground electronic state

E. Castellucci, J. C. Otero, G. Pietraperzia, 1999 .

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

S. P. Centeno, J. F. Arenas, J. C. Otero, 2014 .

Detection and quantitative analysis of carbendazim herbicide on Ag nanoparticles via surface-enhanced Raman scattering

Ricardo Aroca, Santiago Sánchez-Cortés, Carlos J. L. Constantino, 2015 .

The aniline-water and aniline-methanol complexes in the S1 excited state

E. Castellucci, I. López-Tocón, G. Pietraperzia, 2006 .

Synthesis of penta-p-phenylenes with oligo(ethylene glycol) side chains

E. Guillén, J. C. Otero, C. Cai, 2007 .

How a resonant charge transfer mechanism determines the relative intensities in the SERS spectra of 4-methylpyridine

S. P. Centeno, J. F. Arenas, J. C. Otero, 2002 .

Role of the Electrode Potential in the Charge-Transfer Mechanism of Surface-Enhanced Raman Scattering

J. F. Arenas, J. C. Otero, J. Soto, 2003 .

A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

M. Menziani, J. C. Otero, M. Muniz-Miranda, 2019, Nanomaterials.

Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver Surface

J. C. Otero, J. Soto, I. López‐Tocón, 2019, Front. Chem..

Differentiated adsorption of thiobenzoic acid and thiobenzamide on silver nanoparticles determined by SERS spectroscopy.

J. L. Castro, M. R. Lopez-Ramirez, J. C. Otero, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Intramolecular and Metal-to-Molecule Charge Transfer Electronic Resonances in the Surface-Enhanced Raman Scattering of 1,4-Bis((E)-2-(pyridin-4-yl)vinyl)naphthalene

S. Sánchez‐Cortés, J. C. Otero, P. Leyton, 2019, Molecules.

Sensing Bisphenol A by Means of Surface-Enhanced Raman Spectroscopy and DFT Calculations to Elucidate the Enhancement Mechanism That Dominates the Spectrum

J. C. Otero, I. López‐Tocón, Samuel Valdivia, 2023, Chemosensors.

Comparative Performance of Citrate, Borohydride, Hydroxylamine and β-Cyclodextrin Silver Sols for Detecting Ibuprofen and Caffeine Pollutants by Means of Surface-Enhanced Raman Spectroscopy

J. C. Otero, M. L. Souza, I. López‐Tocón, 2020, Nanomaterials.

Surface-Enhanced Raman Spectroscopy for Bisphenols Detection: Toward a Better Understanding of the Analyte–Nanosystem Interactions

S. Sánchez‐Cortés, G. Smulevich, J. C. Otero, 2021, Nanomaterials.

Application of surface-enhanced resonance Raman scattering (SERS) to the study of organic functional materials: electronic structure and charge transfer properties of 9,10-bis((E)-2-(pyridin-4-yl)vinyl)anthracene

S. Sánchez‐Cortés, J. C. Otero, P. Leyton, 2019, RSC advances.

The electronic structure of metal-molecule hybrids in charged interfaces: surface-enhanced Raman selection rules derived from plasmon-like resonances.

J. L. Castro, J. F. Arenas, J. C. Otero, 2015, Physical chemistry chemical physics : PCCP.

How the electrode potential controls the selection rules of the charge transfer mechanism of SERS.

J. F. Arenas, J. C. Otero, I. López-Tocón, 2011, Chemical communications.

Multicomponent direct detection of polycyclic aromatic hydrocarbons by surface-enhanced Raman spectroscopy using silver nanoparticles functionalized with the viologen host lucigenin.

S. Sánchez‐Cortés, J. García-Ramos, J. F. Arenas, 2011, Analytical chemistry.

Trace detection of triphenylene by surface enhanced Raman spectroscopy using functionalized silver nanoparticles with bis-acridinium lucigenine.

S. Sánchez‐Cortés, J. García-Ramos, J. F. Arenas, 2010, Langmuir : the ACS journal of surfaces and colloids.

Charge transfer at the nanoscale and the role of the out-of-plane vibrations in the selection rules of surface-enhanced Raman scattering.

J. C. Otero, J. Soto, I. López‐Tocón, 2018, Physical chemistry chemical physics : PCCP.

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.

S. P. Centeno, J. F. Arenas, J. C. Otero, 2006, The journal of physical chemistry. B.

Computational Model for Electrochemical Surface-Enhanced Raman Scattering: Key Role of the Surface Charges and Synergy between Electromagnetic and Charge-Transfer Enhancement Mechanisms.

J. C. Otero, I. López-Tocón, J. Soto, 2022, Journal of chemical theory and computation.

An approach to the electronic structure of molecular junctions with metal clusters of atomic thickness.

J. C. Otero, I. López-Tocón, J. Soto, 2016, Physical chemistry chemical physics : PCCP.

Franck–Condon Dominates the Surface-Enhanced Raman Scattering of 3-Methylpyridine: Propensity Rules of the Charge-Transfer Mechanism under Reduced Symmetry

S. P. Centeno, J. F. Arenas, J. C. Otero, 2012 .

On the dual character of charged metal-molecule hybrids and the opposite behaviour of the forward and reverse CT processes.

S. P. Centeno, J. F. Arenas, M. R. Lopez-Ramirez, 2014, Physical chemistry chemical physics : PCCP.

Photoinduced charge transfer processes in the surface-enhanced Raman scattering of 2,4,6-trimethylpyridine recorded on silver electrode

S. P. Centeno, J. L. Castro, M. R. Lopez-Ramirez, 2003 .

Surface-enhanced Raman scattering of 5-fluorouracil adsorbed on silver nanostructures.

J. L. Castro, J. C. Otero, I. López-Tocón, 2009, Physical chemistry chemical physics : PCCP.

An MS-CASPT2 study of the photodecomposition of 4-methoxyphenyl azide: role of internal conversion and intersystem crossing.

J. F. Arenas, J. C. Otero, I. López-Tocón, 2018, Physical chemistry chemical physics : PCCP.

Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver Electrode

J. C. Otero, J. Soto, F. J. A. Ferrer, 2020 .

Building hot spots in different plasmonic nanoparticles from a cruciform bifunctional dipyridine anthracene

S. Sánchez‐Cortés, J. C. Otero, M. Campos‐Vallette, 2019, Journal of Raman Spectroscopy.

Raman study of the rigidity of penta-p-phenylene derivatives used as legs in molecular tripods.

D. Peláez, J. C. Otero, C. Cai, 2008, The journal of physical chemistry. B.

Moodle Quizzes as a Continuous Assessment in Higher Education: An Exploratory Approach in Physical Chemistry

I. López-Tocón, I. López‐Tocón, 2021, Education Sciences.

Vibrational predissociation dynamics of the aniline–neon Van der Waals complex: an ab initio study

E. Castellucci, J. Soto, G. Pietraperzia, 2004 .

Rotationally resolved electronic spectroscopy of aniline excited vibronic levels

E. Castellucci, I. López-Tocón, G. Pietraperzia, 2001 .

Vibrational spectrum of 4-fluoraniline

E. Castellucci, J. C. Otero, I. López-Tocón, 2001 .