Publicaciones en colaboración con investigadores/as de University at Buffalo, State University of New York (3)

2023

  1. 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

2016

  1. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541