Publicaciones en colaboración con investigadoras/es de University College London (21)

2022

  1. Probing gravity with the DES-CMASS sample and BOSS spectroscopy

    Monthly Notices of the Royal Astronomical Society, Vol. 509, Núm. 4, pp. 4982-4996

2021

  1. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2017

  1. Mechanism of O2 diffusion and reduction in FeFe hydrogenases

    Nature Chemistry, Vol. 9, Núm. 1, pp. 88-95

2016

  1. Computation of Rate Constants for Diffusion of Small Ligands to and from Buried Protein Active Sites

    Methods in Enzymology (Academic Press Inc.), pp. 299-326

  2. Dynamics and Structure of Poly(ethylene oxide) Intercalated in the Nanopores of Resorcinol-Formaldehyde Resin Nanoparticles

    Macromolecules, Vol. 49, Núm. 15, pp. 5704-5713

2015

  1. Identification of mutational hot spots for substrate diffusion: Application to myoglobin

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 4, pp. 1919-1927

2014

  1. Aerobic damage to [FeFe]-hydrogenases: Activation barriers for the chemical attachment of O2

    Angewandte Chemie - International Edition, Vol. 53, Núm. 16, pp. 4081-4084

  2. Control of single-spin magnetic anisotropy by exchange coupling

    Nature Nanotechnology, Vol. 9, Núm. 1, pp. 64-68

  3. Intercalation and confinement of poly(ethylene oxide) in porous carbon nanoparticles with controlled morphologies

    Macromolecules, Vol. 47, Núm. 24, pp. 8729-8737

  4. Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, Núm. 43, pp. 15420-15425

  5. Neutron spectroscopy as a probe of macromolecular structure and dynamics under extreme spatial confinement

    Journal of Physics: Conference Series

2013

  1. Confinement of poly(ethylene oxide) in the nanometer-scale pores of resins and carbon nanoparticles

    Soft Matter, Vol. 9, Núm. 46, pp. 10960-10965

2012

  1. Analysis of the Kondo effect in ferromagnetic atomic-sized contacts

    Physical Review B - Condensed Matter and Materials Physics, Vol. 86, Núm. 7

  2. Macromolecular structure and vibrational dynamics of confined poly(ethylene oxide): From subnanometer 2d-intercalation into graphite oxide to surface adsorption onto graphene sheets

    ACS Macro Letters, Vol. 1, Núm. 5, pp. 550-554

  3. Selected peer-reviewed articles from the 5th international conference on surfaces, coatings and nanostructured materials (NANOSMAT 2010)

    Journal of Nanoscience and Nanotechnology

  4. Tunable uptake of poly(ethylene oxide) by graphite-oxide-based materials

    Carbon, Vol. 50, Núm. 14, pp. 5232-5241

  5. Two-dimensional subnanometer confinement of ethylene glycol and Poly(ethylene oxide) by neutron spectroscopy: Molecular size effects

    Macromolecules, Vol. 45, Núm. 7, pp. 3137-3144

2011

  1. Polymers under extreme two-dimensional confinement: Poly(ethylene oxide) in graphite oxide

    Soft Matter, Vol. 7, Núm. 16, pp. 7173-7176

  2. Strong electronic correlation in the hydrogen chain: A variational Monte Carlo study

    Physical Review B - Condensed Matter and Materials Physics, Vol. 84, Núm. 24

2006

  1. Electronic excitation energies of ZniSi nanoparticles

    Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105