Publicaciones en colaboración con investigadores/as de Universidad de Granada (13)

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

2015

  1. Experimental Organic Chemistry: Laboratory Manual

    Elsevier, pp. 1-488

2013

  1. Structural consequences of the N7 and C8 translocation on the metal binding behavior of adenine

    Inorganic Chemistry, Vol. 52, Núm. 4, pp. 1916-1925

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

  2. NMR assignment in regioisomeric hydroquinones

    Magnetic Resonance in Chemistry, Vol. 49, Núm. 6, pp. 358-365

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

2000

  1. Chemical bonding in hypervalent molecules revised. 3. Application of the atoms in molecules theory to Y3X-CH2 (X = N, P, or As; Y = H or F) and H2X-CH2 (X = O, S, or Se) ylides

    Journal of the American Chemical Society, Vol. 122, Núm. 6, pp. 1144-1149

  2. Stereoselective synthesis of 3-alkylsulfinylmethylisoxazolines and their use as chiral nucleophiles in the chain elongation of 2,3-O-isopropylidene-D-glyceraldehyde

    Tetrahedron Asymmetry, Vol. 11, Núm. 23, pp. 4791-4803

1999

  1. Theoretical bonding description of alkylidene chalcogen (O, S, Se) difluorides (H2C=XF2): Planar versus bent conformations

    Inorganic Chemistry, Vol. 38, Núm. 26, pp. 6257-6260

1998

  1. Chemical bonding in hypervalent molecules revised. Application of the Atoms in Molecules Theory to Y3 X and Y3 XZ (Y = H or CH3; X = N, P or As; Z = O or S) compounds

    Journal of the American Chemical Society, Vol. 120, Núm. 33, pp. 8461-8471