Abstract:Large samples have been employed to obtain energy state distributions in products (translational, vibrational and rotational) for the OH (vOH = 0; jOH = 2) + D2 (vD2 = 0; jD2) gas phase reaction initial conditions. It uses Quasi-Classical Trajectory calculations and the Gaussian Binning methodology on Wu-Schatz-Lendvay-Fang-Harding potential energy surface. As the author has already observed in a previous works, depending on a first selection, Vibrational-Gaussian Binning, a second selection, Rotational-Gaussi… Show more
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