Publicaciones en colaboración con investigadores/as de Laboratoire de Chimie (3)

2023

  1. Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 22, pp. 8258-8272

  2. 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

2015

  1. Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: First principles simulations

    Faraday Discussions, Vol. 177, pp. 345-362