Publicaciones en colaboración con investigadores/as de Uppsala University (5)

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

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

2014

  1. A theoretical analysis of the intrinsic light-harvesting properties of xanthopterin

    Computational and Theoretical Chemistry, Vol. 1040-1041, pp. 230-236

2013

  1. Photoinduced formation mechanism of the thymine-thymine (6-4) adduct

    Journal of Physical Chemistry B, Vol. 117, Núm. 7, pp. 1999-2004

2011

  1. Essential on the photophysics and photochemistry of the indole chromophore by using a totally unconstrained theoretical approach

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 12, pp. 4088-4096