Publicaciones en colaboración con investigadores/as de Massachusetts Institute of Technology (8)

2022

  1. Laboratory detection and astronomical study of interstellar acetohydroxamic acid, a glycine isomer

    Astronomy and Astrophysics, Vol. 666

2020

  1. Multiscale Modeling of Lignocellulosic Biomass

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

2019

  1. New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(3P) + HCl Reaction and Comparison with Quantum Mechanical and Quasiclassical Trajectory Results

    Journal of Physical Chemistry A, Vol. 123, Núm. 37, pp. 7920-7931

2018

  1. A Ring Polymer Molecular Dynamics Approach to Study the Transition between Statistical and Direct Mechanisms in the H2 + H3+ → H3+ + H2 Reaction

    Journal of Physical Chemistry Letters, Vol. 9, Núm. 9, pp. 2133-2137

2017

  1. The role of weak interactions in lignin polymerization

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

2013

  1. A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 10, pp. 3655-3665

1992

  1. Reactions of 2-Furyl, 2-Thienyl, and N-Methyl-2-Pyrrolyl Mercurials with [Et3NH][(μ-CO)(μ-RS)Fe2(CO)6] Complexes. Synthesis of Fe2(CO)6 Complexes with Bridging η1:η2-Furyl and Thienyl Ligands

    Organometallics, Vol. 11, Núm. 10, pp. 3262-3271

  2. The Synthesis and Structure of (μ-η2,η3-Pentadienyl)(μ-alkanethiolato)pentacarbonyldiiron (Fe-Fe) Complexes. An Unusual Bonding Mode for the Pentadienyl Group

    Journal of the American Chemical Society, Vol. 114, Núm. 12, pp. 4594-4601