Saulo A. Vázquez

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Classical dynamics calculations are reported for the lowest energy unimolecular reaction channels of HSO. A recently published single-valued DMBE potential energy surface for HSO was employed in the dynamics calculations. The results predict that the isomerization channel HSO ! HOS is the preferred one at the lowest energies of the study, while dissociation(More)
The collision-induced dissociation (CID) of the [Li(uracil)](+) complex with Xe is studied by means of quasi-classical trajectory calculations. The potential energy surface is obtained "on the fly" from AM1 semiempirical calculations, supplemented with two-body analytical potentials to model the intermolecular interactions. The simulations show that Li(+)(More)
Following photodissociation of 2-chloropropene (H(2)CCClCH(3)) at 193 nm, vibration-rotationally resolved emission spectra of HCl (upsilon < or = 6) in the spectral region of 1900-2900 cm(-1) were recorded with a step-scan time-resolved Fourier-transform spectrometer. All vibrational levels show a small low-J component corresponding to approximately 400 K(More)
Quasiclassical trajectory calculations were performed to calculate rovibrational distributions of the nascent HF fragment in the photodissociation of vinyl fluoride at 193 nm. The trajectories were initiated at the transition states of the four-center (4C) and three-center (3C) HF elimination channels, using a microcanonical, quasiclassical normal-mode(More)
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