Publicaciones en colaboración con investigadoras/es de Imperial College London (23)

2023

  1. Stability and C-H Bond Activation Reactions of Palladium(I) and Platinum(I) Metalloradicals: Carbon-to-Metal H-Atom Transfer and an Organometallic Radical Rebound Mechanism

    Journal of the American Chemical Society, Vol. 145, Núm. 25, pp. 14087-14100

2021

  1. Light-Induced Charge Transfer from Transition-Metal-Doped Aluminum Clusters to Carbon Dioxide

    Journal of Physical Chemistry A, Vol. 125, Núm. 27, pp. 5878-5885

  2. Monitoring the active sites for the hydrogen evolution reaction at model carbon surfaces

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 16, pp. 10051-10058

2020

  1. The CECAM electronic structure library and the modular software development paradigm

    The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117

  2. Wannier90 as a community code: New features and applications

    Journal of Physics Condensed Matter, Vol. 32, Núm. 16

2019

  1. Responding to global stimulant use: challenges and opportunities

    The Lancet, Vol. 394, Núm. 10209, pp. 1652-1667

2018

  1. Mechanical architecture and folding of E. coli type 1 pilus domains

    Nature Communications, Vol. 9, Núm. 1

  2. Temperature-Dependence of Persistence Length Affects Phenomenological Descriptions of Aligning Interactions in Nematic Semiconducting Polymers

    Chemistry of Materials, Vol. 30, Núm. 3, pp. 748-761

  3. The effect of public health-oriented drug law reform on HIV incidence in people who inject drugs in Tijuana, Mexico: an epidemic modelling study

    The Lancet Public Health, Vol. 3, Núm. 9, pp. e429-e437

2017

  1. Relaxations and Relaxor-Ferroelectric-Like Response of Nanotubularly Confined Poly(vinylidene fluoride)

    Chemistry of Materials, Vol. 29, Núm. 8, pp. 3515-3525

2015

  1. Effect of cross-linker and charge on the scattered light by dilute aqueous dispersions of nanogel particles

    Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 484, pp. 226-230

  2. On the scattered light by dilute aqueous dispersions of nanogel particles

    Journal of Colloid and Interface Science, Vol. 450, pp. 310-315

2014

  1. An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions

    Computer Physics Communications, Vol. 185, Núm. 8, pp. 2309-2310

  2. Chiral transition-metal complexes as Brønsted-acid catalysts for the asymmetric Friedel-Crafts hydroxyalkylation of indoles

    Dalton Transactions, Vol. 43, Núm. 29, pp. 11260-11268

  3. 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

  4. Linear and nonlinear optical effects induced by energy transfer from semiconductor nanoparticles to photosynthetic biological systems

    Journal of Photochemistry and Photobiology C: Photochemistry Reviews, Vol. 20, Núm. 1, pp. 17-32

2013

  1. Large enhancement of nonlinear optical response in a hybrid nanobiomaterial consisting of bacteriorhodopsin and cadmium telluride quantum dots

    ACS Nano, Vol. 7, Núm. 3, pp. 2154-2160

2012

  1. Maximally localized Wannier functions: Theory and applications

    Reviews of Modern Physics, Vol. 84, Núm. 4, pp. 1419-1475

1989

  1. Theory of image states at metal surfaces

    Progress in Surface Science, Vol. 32, Núm. 2, pp. 111-159

1986

  1. Electron-hole pair contributions to the effective mass of electrons at surfaces

    Surface Science, Vol. 166, Núm. 1, pp. 69-74