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• W2009009610 abstract "Time dependent wave packet calculations have been performed for the O+ + H2 nonreactive scattering on the recent potential energy surface of Martinez et al. [J. Chem. Phys., 120, 4705, 2004]. Exact total reflection probabilities at the total angular momentum J = 0 and approximate ones for J > 0 have been calculated by using Centrifugal Sudden approximation. Integral cross sections over collision energy range of 0.08–0.7 eV were obtained. Time independent quantum calculations have also been performed for a comparison. Initial state-selected rate constants have been obtained by means of Capture model based on a simple and Uniform J-shifting techniques and they display an Arrhenius behavior." @default.
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• W2009009610 date "2012-04-01" @default.
• W2009009610 modified "2023-10-17" @default.
• W2009009610 title "Nonreactive scattering of the O++H2: A time dependent wave packet approach" @default.
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• W2009009610 doi "https://doi.org/10.1016/j.cplett.2012.02.059" @default.
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