Publicacións en colaboración con investigadores/as de University of Leeds (18)

2022

  1. Reactive Jetting of High Viscosity Nanocomposites for Dielectric Elastomer Actuation

    Advanced Materials Technologies, Vol. 7, Núm. 6

  2. Thermal Transformation of Natural Schwertmannite in the Presence of Chromium

    Minerals, Vol. 12, Núm. 6

2021

  1. ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations

    Journal of Chemical Theory and Computation, Vol. 17, Núm. 8, pp. 4901-4912

2018

  1. A universal adsorption behaviour for Cu uptake by iron (hydr)oxide organo-mineral composites

    Chemical Geology, Vol. 479, pp. 22-35

  2. Magnetically Recyclable Catalytic Carbon Nanoreactors

    Advanced Functional Materials, Vol. 28, Núm. 34

2017

  1. Comparison of alkene hydrogenation in carbon nanoreactors of different diameters: Probing the effects of nanoscale confinement on ruthenium nanoparticle catalysis

    Journal of Materials Chemistry A, Vol. 5, Núm. 40, pp. 21467-21477

2014

  1. Recent applications of boxed molecular dynamics: A simple multiscale technique for atomistic simulations

    Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 372, Núm. 2021

  2. Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers

    Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169

2010

  1. Dynamics of Mg+ + H2O + he: Capture, collisional stabilization and collision-induced dissociation

    Journal of Physical Chemistry A, Vol. 114, Núm. 23, pp. 6472-6479

2009

  1. Classical, quantum and statistical simulations of vibrationally excited HOSO 2 : IVR, dissociation, and implications for OH + SO 2 kinetics at high pressures

    Physical Chemistry Chemical Physics, Vol. 11, Núm. 6, pp. 963-974

1996

  1. Simulation of adsorption of flexible chains: Concentration effects

    Journal of the Chemical Society - Faraday Transactions, Vol. 92, Núm. 12, pp. 2275-2280

1994

  1. Brownian dynamics simulation of a multi-subunit deformable particle in simple shear flow

    Journal of the Chemical Society, Faraday Transactions, Vol. 90, Núm. 18, pp. 2737-2742

1993

  1. Brownian dynamics model of deformable particle adsorption

    Molecular Physics, Vol. 80, Núm. 2, pp. 431-440

  2. Dynamic simulation of the adsorption of a flexible chain

    Journal of the Chemical Society, Faraday Transactions, Vol. 89, Núm. 3, pp. 573-577

1992

  1. Cyclometallated complexes of bis(N-benzylidene)-1,4-phenylenediamines. Synthesis and crystal structure of [1,4-{Pd[2,3,4-(MeO) 3 C 6 HC(H)=N](Br)} 2 C 6 H 4 ] 2 : a novel tetranuclear cyclometallated palladium(II) complex

    Journal of Organometallic Chemistry, Vol. 426, Núm. 2, pp. 267-277

1991

  1. Synthesis of cyclometallated complexes of PdII. The X-ray crystal structure of di-μ-bromo-bis[N-(3,4-dimethoxybenzylidene)cyclohexylaminato-C6,N]dipalladium(II)

    Journal of Organometallic Chemistry, Vol. 401, Núm. 3, pp. 385-394

1987

  1. Determination of the relative signs of 2J(31P-31P) in complexes of tungsten(0) and molybdenum(0) using two-dimensional [31P-31P]-COSY-45 nuclear magnetic resonance chemical shift correlation

    Journal of the Chemical Society, Dalton Transactions, pp. 2401-2405

  2. The extremely rapid acid-catalysed isomerizations of carbonyl-Mo or -W tertiary phosphine complexes: Convenient syntheses of fac- or mer-isomers

    Journal of the Chemical Society, Chemical Communications, pp. 1778-1779