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The effects of the vibrational excitation on H + ND(a1Δ, j0 = 2, v0 = 0,1,2) reaction

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Abstract

Reactions of vibrationally excited ND (a1Δ, j0 = 2, v0 = 0,1,2) molecule with H atom have been carried out on the modified NH2 potential energy surface (PES) for the 2A′ excited state using Centrifugal Sudden approximation. The chemical reaction of ND (a1Δ) with H can proceed via the depletion ND + H → N + HD and the exchange pathways ND + H → NH + D. So, we present the time-dependent wave packet quantum scattering calculations of initial-state-resolved reaction probabilities, integral cross sections and initial state-selected reaction rate constants for exchange and depletion channels of the title reaction. For exchange reaction, it was found that vibrational excitation plays a very important role in the integral cross sections and rate constants.

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Authors and Affiliations

  1. Department of Physics, Faculty of Science, Firat University, 23169, Elazig, Turkey

    Seda Hekim, Sinan Akpinar & Esra Simsek

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  1. Seda Hekim
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  2. Sinan Akpinar
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  3. Esra Simsek
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Correspondence to Seda Hekim.

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Hekim, S., Akpinar, S. & Simsek, E. The effects of the vibrational excitation on H + ND(a1Δ, j0 = 2, v0 = 0,1,2) reaction. Eur. Phys. J. D 73, 254 (2019). https://doi.org/10.1140/epjd/e2019-100229-4

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