Publications in collaboration with researchers from Instituto de Química Física Rocasolano (14)

2022

  1. Author Correction: Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition (Nature Communications, (2018), 9, 1, (4796), 10.1038/s41467-018-07075-3)

    Nature Communications

  2. Generation of multiple triplet states in an orthogonal bodipy dimer: a breakthrough spectroscopic and theoretical approach

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 10, pp. 5929-5938

2021

  1. Nanostructural organization of thin films prepared by sequential dip-coating deposition of poly(butylene succinate), poly(ε-caprolactone) and their copolyesters (PBS-ran-PCL)

    Polymer, Vol. 226

2019

  1. Ab initio quantum-chemical computations of the absorption cross sections of HgX2 and HgXY (X, y = Cl, Br, and I): Molecules of interest in the Earth's atmosphere

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 1, pp. 455-467

  2. Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

    Journal of the American Chemical Society, Vol. 141, Núm. 22, pp. 8698-8702

2018

  1. Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition

    Nature Communications, Vol. 9, Núm. 1

2017

  1. Quantitative Nanomechanical Properties of Multilayer Films Made of Polysaccharides through Spray Assisted Layer-by-Layer Assembly

    Biomacromolecules, Vol. 18, Núm. 1, pp. 169-177

2014

  1. A survey of the parallel performance and accuracy of Poisson solvers for electronic structure calculations

    Journal of Computational Chemistry, Vol. 35, Núm. 6, pp. 427-444

2013

  1. Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development

    Journal of Medicinal Chemistry, Vol. 56, Núm. 3, pp. 735-747

  2. Determination of the surface structure of CeO2(111) by low-energy electron diffraction

    Journal of Chemical Physics, Vol. 139, Núm. 11

2012

  1. Excited states of the green fluorescent protein chromophore: Performance of ab initio and semi-empirical methods

    Physica Status Solidi (B) Basic Research, Vol. 249, Núm. 2, pp. 392-400

  2. Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small molecules

    Journal of Chemical Physics, Vol. 137, Núm. 22

2010

  1. Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution

    New Journal of Physics, Vol. 12

2002

  1. Hysteresis shift in Fe-filled carbon nanotubes due to γ-Fe

    Physical Review B - Condensed Matter and Materials Physics, Vol. 65, Núm. 11, pp. 1-4