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Theoretical and Computational Analysis at a Quantum State Level of Autoionization Processes in Astrochemistry

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Computational Science and Its Applications – ICCSA 2020 (ICCSA 2020)

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Abstract

Changes in atomic-molecular alignment and/or in molecular orientation, can affect strongly the fate of basic collision events. However, a deep knowledge of these phenomena is still today not fully understood, although it is of general relevance for the control of the stereo-dynamics of elementary chemical-physical processes, occurring under a variety of conditions, both in gas phase and at surface. In particular, understanding the mode-specificity in reaction dynamics of open-shell atoms, free radicals, molecules, atomic and molecular ions, under hyper-thermal, thermal and sub-thermal conditions is of fundamental importance for catalysis, plasmas, photo-dynamics as well as interstellar and low-temperature chemistry. In this paper recent results on the role of atomic alignment effects on the stereo-dynamics of autoionization reactions are presented and discussed.

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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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Authors and Affiliations

  1. Department of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125, Perugia, Italy

    Stefano Falcinelli, Marzio Rosi & Franco Vecchiocattivi

  2. Department of Chemistry, Biology and Biotechnologies, University of Perugia, Via Elce di Sotto 8, 06100, Perugia, Italy

    Fernando Pirani

  3. ISTM-CNR, 06123, Perugia, Italy

    Fernando Pirani & Marzio Rosi

Authors
  1. Stefano Falcinelli
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  2. Fernando Pirani
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  4. Franco Vecchiocattivi
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Corresponding author

Correspondence to Stefano Falcinelli .

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Editors and Affiliations

  1. University of Perugia, Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata, Potenza, Potenza, Italy

    Beniamino Murgante

  3. Chair- Center of ICT/ICE, Covenant University, Ota, Nigeria

    Sanjay Misra

  4. University of Cagliari, Cagliari, Italy

    Chiara Garau

  5. University of Cagliari, Cagliari, Italy

    Ivan Blečić

  6. Clayton School of Information Technology, Monash University, Clayton, VIC, Australia

    David Taniar

  7. Department of Information Science, Kyushu Sangyo University, Fukuoka, Japan

    Bernady O. Apduhan

  8. University of Minho, Braga, Portugal

    Ana Maria A. C. Rocha

  9. Polytechnic University of Bari, Bari, Italy

    Eufemia Tarantino

  10. Polytechnic University of Bari, Bari, Italy

    Carmelo Maria Torre

  11. Department of Neurology, University of Massachusetts Medical School, Worcester, MA, USA

    Yeliz Karaca

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Falcinelli, S., Pirani, F., Rosi, M., Vecchiocattivi, F. (2020). Theoretical and Computational Analysis at a Quantum State Level of Autoionization Processes in Astrochemistry. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2020. ICCSA 2020. Lecture Notes in Computer Science(), vol 12251. Springer, Cham. https://doi.org/10.1007/978-3-030-58808-3_50

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  • DOI: https://doi.org/10.1007/978-3-030-58808-3_50

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