Publicaciones en colaboración con investigadores/as de Universidad de Málaga (49)

2024

  1. Voltage tuning of photoinduced charge transfer resonances between 2,2′-bipyridine and a nanostructured silver electrode

    Applied Surface Science, Vol. 646

2023

  1. 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

    Journal of Raman Spectroscopy, Vol. 54, Núm. 2, pp. 150-158

  2. Dimeric tetrabromo-p-quinodimethanes: synthesis and structural/electronic properties

    Chemical Science, Vol. 14, Núm. 37, pp. 10112-10120

2022

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

    Journal of Chemical Theory and Computation, Vol. 18, Núm. 11, pp. 6802-6815

  2. Strain Switching in van der Waals Heterostructures Triggered by a Spin-Crossover Metal–Organic Framework

    Advanced Materials, Vol. 34, Núm. 11

2021

  1. Chirality Amplified: Long, Discrete Helicene Nanoribbons

    Journal of the American Chemical Society, Vol. 143, Núm. 2, pp. 983-991

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

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 246

  3. Dual synergistic modulation of photo-induced electron transfer processes between molecules and gold nanopillars for ultrasensitive plasmon-enhanced Raman scattering

    Journal of Materials Chemistry C, Vol. 9, Núm. 28, pp. 8842-8848

  4. Origin of Chiroptic Amplification in Perylene-Diimide Helicenes

    Journal of Physical Chemistry C, Vol. 125, Núm. 4, pp. 2554-2564

2020

  1. Adiabatic-Molecular Dynamics Generalized Vertical Hessian Approach: A Mixed Quantum Classical Method to Compute Electronic Spectra of Flexible Molecules in the Condensed Phase

    Journal of Chemical Theory and Computation, Vol. 16, Núm. 2, pp. 1215-1231

  2. Distinct Helical Molecular Orbitals through Conformational Lock**

    Chemistry - A European Journal, Vol. 26, Núm. 72, pp. 17342-17349

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

    Journal of Physical Chemistry C, Vol. 124, Núm. 32, pp. 17632-17639

  4. The role of chlorine position in the electronic circular dichroism of chlorophenyl-ethanol investigated by vibronic calculations

    Chirality, Vol. 32, Núm. 7, pp. 932-948

2019

  1. Theoretical approaches for modeling the effect of the electrode potential in the SERS vibrational wavenumbers of pyridine adsorbed on a charged silver surface

    Frontiers in Chemistry, Vol. 7, Núm. JUN

2018

  1. A computational study of the vibrationally-resolved electronic circular dichroism spectra of single-chain transoid and cisoid oligothiophenes in chiral conformations

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 34, pp. 21864-21880

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

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 11, pp. 7764-7771

  3. Breathing-Dependent Redox Activity in a Tetrathiafulvalene-Based Metal-Organic Framework

    Journal of the American Chemical Society, Vol. 140, Núm. 33, pp. 10562-10569

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

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 46, pp. 29430-29439

  5. Toward a general mixed quantum/classical method for the calculation of the vibronic ECD of a flexible dye molecule with different stable conformers: Revisiting the case of 2,2,2-trifluoro-anthrylethanol

    Chirality, Vol. 30, Núm. 6, pp. 730-743

2017

  1. 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, 7833

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 40, pp. 27888-27891