The reagent Jacobi coordinates (R, r 1, r 2, θ1, θ2, φ) for the AB + CD diatom-diatom arrangement, and product Jacobi coordinates for the A + BCD atom-triatom arrangement. Δ is the angle between and .
The norm of source term ξ p (t) defined in Eq. (3) as a function of propagation time.
Integral cross sections for the title reaction on the XXZ PES obtained from the state-to-state calculations, in comparison with those obtained from total reaction probability calculations only with reactant coordinates, together with the ICS on the YZCL2 PES.
Rotational distributions for product H2O molecule for E c = 0.2, 0.3, and 0.4 eV.
The product H2O rovibrational distributions at E c = 0.2, 0.3, and 0.4 eV.
H2O vibrational state populations as a function of collision energy.
(a) The product H2O rovibrational energy measured from ground rovibrational level of H2O, together with the rotational energy, as a function of collision energy; (b) The fraction of total available energy for the reaction deposited in the rovibrational and rotational motion of H2O product.
(a) DCS for collision energies from 0.15 up to 0.4 eV; (b) Product scattering angle distributions with DCS at backward direction normalized to 1.
The H2O vibrational state resolved scattering angle distributions at collision energy of 0.2, 0.3, and 0.4 eV.
DCS at E c = 0.2, 0.3, and 0.4 eV, in terms of surface plots for the product translational energy and angle distributions for the title reaction.
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