List of works - Isabel López-Tocón

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

scientific article published on 28 August 2019

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

scientific article published on 21 November 2015

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

scientific article published on 01 March 2018

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

scientific article

Carbene formation in its lower singlet state from photoexcited 3H-diazirine or diazomethane. A combined CASPT2 and ab initio direct dynamics trajectory study

scientific article published in February 2002

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

scientific article published on 01 November 2018

Comment on "Elucidation of charge-transfer SERS selection rules by considering the excited state properties and the role of electrode potential" by M. Mohammadpour, M. H. Khodabandeh, L. Visscher and Z. Jamshidi, Phys. Chem. Chem. Phys., 2017, 19, 7

scientific article published on 3 October 2017

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

scientific article published on 25 November 2020

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

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

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

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

scientific article published on 28 February 2011

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

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

scientific article published on 17 December 2019

Large amplitude motions in the electronic ground state of 4-fluoroaniline

Multicomponent Direct Detection of Polycyclic Aromatic Hydrocarbons by Surface-Enhanced Raman Spectroscopy Using Silver Nanoparticles Functionalized with the Viologen Host Lucigenin

scientific article published on 10 March 2011

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

scientific article published on 01 November 2014

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

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

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

scientific article published on 8 April 2008

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

scientific article published on 01 August 2006

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

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

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

scientific article published on 10 June 2009

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

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

scientific article published on 18 November 2014

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

scientific article published on 5 June 2019

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

scientific article published in May 2010

Vibrational study of the metal-adsorbate interaction of phenylacetic acid and alpha-phenylglycine on silver surfaces

scientific article published in July 2003

List of works by Isabel López-Tocón