Publicaciones en colaboración con investigadores/as de École Polytechnique Fédérale de Lausanne (4)

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. The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991

2020

  1. Modern quantum chemistry with [open]molcas

    Journal of Chemical Physics, Vol. 152, Núm. 21

2018

  1. UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 7, pp. 1534-1541