Publicacións en colaboración con investigadores/as de University of Leeds (5)

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

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