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Physical Chemistry Chemical Physics : PCCP|April 7, 2011
Exploring the accuracy level of new potential energy surfaces for the F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamicsDario De Fazio, Josep M Lucas, Vincenzo Aquilanti, et al.
The Journal of Chemical Physics|April 22, 2006
Exact quantum dynamics study of the O(+)+H2(v=0,j=0)-->OH(+)+H ion-molecule reaction and comparison with quasiclassical trajectory calculationsRodrigo Martínez, Josep M Lucas, Xavier Giménez, et al.
The Journal of Chemical Physics|October 13, 2006
Exact quantum calculations of the kinetic isotope effect: cross sections and rate constants for the F+HD reaction and role of tunnelingDario De Fazio, Vincenzo Aquilanti, Simonetta Cavalli, et al.
The Journal of Chemical Physics|August 22, 2008
Exact state-to-state quantum dynamics of the F + HD --> HF(v' = 2) + D reaction on model potential energy surfacesDario De Fazio, Vincenzo Aquilanti, Simonetta Cavalli, et al.
The Journal of Physical Chemistry. A|July 11, 2009
Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation studyMargarita Albertí, Antonio Aguilar, Josep M Lucas, et al.
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