Publicaciones en colaboración con investigadores/as de Universidad Autónoma de Madrid (4)

2024

  1. The key role of chirality and peripheral substitution in the columnar organization of bowl-shaped subphthalocyanines

    Chemical Science, Vol. 15, Núm. 34, pp. 13760-13767

2023

  1. Quantum-Classical Protocol for Efficient Characterization of Absorption Lineshape and Fluorescence Quenching upon Aggregation: The Case of Zinc Phthalocyanine Dyes

    Journal of chemical theory and computation, Vol. 19, Núm. 17, pp. 5938-5957

2022

  1. Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine

    Journal of Physical Chemistry A, Vol. 126, Núm. 41, pp. 7468-7479

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