Publicaciones en colaboración con investigadores/as de Universidad de Granada (6)

2020

  1. Multiscale Modeling of Lignocellulosic Biomass

    Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition (Springer International Publishing), pp. 1627-1648

2017

  1. The role of weak interactions in lignin polymerization

    Journal of Molecular Modeling, Vol. 23, Núm. 3

2016

  1. A computational study of bulk porous two-dimensional polymers related to graphyne

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 31, pp. 21305-21314

2011

  1. N, P, and As ylides and aza- and arsa-wittig reactions from topological analyses of electron density

    Journal of Physical Chemistry A, Vol. 115, Núm. 29, pp. 8316-8326

2010

  1. A topological study of the decomposition of 6, 7, 8-trioxabicyclo[3.2.2] nonane induced by FE(II): modeling the artemisinin reaction with heme

    Journal of Physical Chemistry B, Vol. 114, Núm. 2, pp. 1163-1173

2004

  1. Chemical bonding to N, P, and As in ylides and their boron analogues

    Journal of Physical Chemistry A, Vol. 108, Núm. 42, pp. 9188-9195