Publicacións en colaboración con investigadores/as de Stanford University (15)


  1. Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O( 3 P)

    Journal of Physical Chemistry A, Vol. 123, Núm. 2, pp. 482-491

  2. Anharmonic Molecular Mechanics: Ab Initio Based Morse Parametrizations for the Popular MM3 Force Field

    Journal of Physical Chemistry A, Vol. 123, Núm. 13, pp. 2991-2999


  1. A Simple "boxed Molecular Kinetics" Approach to Accelerate Rare Events in the Stochastic Kinetic Master Equation

    Journal of Physical Chemistry A, Vol. 122, Núm. 6, pp. 1531-1541

  2. Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 9, pp. 4541-4552


  1. Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated: Ab initio exciton model

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 23, pp. 14924-14936

  2. Reaction and relaxation at surface hotspots: Using molecular dynamics and the energy-grained master equation to describe diamond etching

    Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 375, Núm. 2092