Publikationen in Zusammenarbeit mit Forschern von Universidade de Coimbra (9)

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

2006

  1. Trajectory dynamics study of collision-induced dissociation of the Ar + CH4 reaction at hyperthermal conditions: Vibrational excitation and isotope substitution

    Journal of Physical Chemistry A, Vol. 110, Núm. 22, pp. 7113-7121

2005

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

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

  2. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: The importance of zero-point-energy effects

    Journal of Physical Chemistry A, Vol. 109, Núm. 24, pp. 5415-5423

2004

  1. Quasiclassical trajectory study of the collision-induced dissociation of CH3SH++Ar

    Journal of Chemical Physics, Vol. 121, Núm. 6, pp. 2571-2577

2003

  1. Dynamics calculations for the Cl+C2H6 abstraction reaction: Thermal rate constants and kinetic isotope effects

    Journal of Chemical Physics, Vol. 118, Núm. 14, pp. 6280-6288

2002

  1. Unimolecular reaction dynamics of hso. Analysis of the influence of different barrier samplings on the product energy distributions

    Physical Chemistry Chemical Physics, Vol. 4, Núm. 2, pp. 279-287

2001

  1. A direct dynamics study of the H2 elimination from 2,5-dihydrofuran

    Journal of Chemical Physics, Vol. 115, Núm. 17, pp. 7872-7880

  2. Single-valued DMBE potential energy surface for HSO: A distributed n-body polynomial approach

    Journal of Physical Chemistry A, Vol. 105, Núm. 24, pp. 5923-5932