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

2020

  1. Editorial: Application of Optimization Algorithms in Chemistry

    Frontiers in Chemistry

2019

  1. L -Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations

    Journal of Physical Chemistry A, Vol. 123, Núm. 17, pp. 3685-3696

2017

  1. Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces

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

2014

  1. Intermolecular potential for binding of protonated peptide ions with perfluorinated hydrocarbon surfaces

    Journal of Physical Chemistry B, Vol. 118, Núm. 20, pp. 5577-5588

  2. Understanding energy transfer in gas-surface collisions from gas-phase models

    Journal of Physical Chemistry C, Vol. 118, Núm. 5, pp. 2609-2621

  3. 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

2012

  1. Intermolecular potentials for simulations of collisions of SiNCS + and (CH 3) 2SiNCS + ions with fluorinated self-assembled monolayers

    Chemical Physics, Vol. 399, pp. 193-204

2010

  1. Chemical dynamics simulations of CO2 in the ground and first excited bend states colliding with a perfluorinated self-assembled monolayer

    Journal of Physical Chemistry C, Vol. 114, Núm. 43, pp. 18455-18464

2009

  1. Dynamics of CO 2 scattering off a perfluorinated self-assembled monolayer influence of the incident collision energy mass effects and use of different surface models

    Journal of Physical Chemistry A, Vol. 113, Núm. 16, pp. 3850-3865

2008

  1. Chemical dynamics simulations of energy transfer in collisions of protonated peptide-ions with a perfluorinated alkylthiol self-assembled monolayer surface

    Journal of Physical Chemistry C, Vol. 112, Núm. 25, pp. 9377-9386

2007

  1. Chemical dynamics simulations of CO2 scattering off a fluorinated self-assembled monolayer surface

    Journal of Physical Chemistry C, Vol. 111, Núm. 1, pp. 354-364

  2. Inelastic scattering dynamics of Ar from a perfluorinated self-assembled monolayer surface

    Journal of Physical Chemistry A, Vol. 111, Núm. 49, pp. 12785-12794

  3. Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations

    Journal of Physical Chemistry A, Vol. 111, Núm. 41, pp. 10292-10301

2006

  1. PHYS 179-Chemical dynamics simulations of carbon dioxide scattering off a fluorinated self-assembled monolayer surface

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

2005

  1. Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO)6 + with Xe

    Journal of Chemical Physics, Vol. 123, Núm. 15