Abstract
This paper provides basic aspects of the stereodynamics of autoionization reactions, triggered by collisions of N2 molecules with metastable neon atoms, Ne*(3P2,0), that are of great relevance for the balance of phenomena occurring in atmospheric environments under various conditions. A computational analysis based on the long-range intermolecular forces involved, some of chemical and other of physical origin, allows a first attempt in order to reproduce experimental data from our and other laboratories. This is a good test of the reliability of our recently proposed semiclassical model for atom-atom self-ionization processes and here extended to a simple atom-molecule system.
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Acknowledgments
This work was supported and financed with the “Fondo Ricerca di Base, 2018, dell’Università degli Studi di Perugia” (Project Titled: Indagini teoriche e sperimentali sulla reattività di sistemi di interesse astrochimico). Support from Italian MIUR and University of Perugia (Italy) is acknowledged within the program “Dipartimenti di Eccellenza 2018–2022”.
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Falcinelli, S., Vecchiocattivi, F., Pirani, F. (2021). Autoionization Processes Involving Molecules of Atmospheric Interest: A Computational Test for Ne*-N2 System. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2021. ICCSA 2021. Lecture Notes in Computer Science(), vol 12953. Springer, Cham. https://doi.org/10.1007/978-3-030-86976-2_44
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