Publicaciones en las que colabora con Francisco Ávila Ferrer (8)

2024

  1. Linear Vibronic Coupling Approach for Surface-Enhanced Raman Scattering: Quantifying the Charge-Transfer Enhancement Mechanism

    Journal of Chemical Theory and Computation, Vol. 20, Núm. 9, pp. 3850-3863

  2. Remembering the Old Propensity Rules of the Electromagnetic Enhancement Mechanism of SERS: Reorientation of Pyridine on a Silver Electrode Induced by the Applied Potential

    Journal of Physical Chemistry C, Vol. 128, Núm. 30, pp. 12566-12574

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

2021

  1. 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

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. 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

2016

  1. Analysis of the Potential Dependent Surface-Enhanced Raman Scattering of p-Aminothiophenol on the Basis of MS-CASPT2 Calculations

    Journal of Physical Chemistry C, Vol. 120, Núm. 34, pp. 19322-19328