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Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes

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Computational Science and Its Applications – ICCSA 2013 (ICCSA 2013)

Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 7971))

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Abstract

The autoionization dynamics of triatomic molecules induced by He*(23,1S1,0) and Ne*(3P2,0) collisions has been discussed. The systems are analyzed by using an optical potential model within a semiclassical approach. The real part of the potential is formulated applying a semiempirical method, while the imaginary part has been used in the fitting procedure of the data adjusting its pre-exponential factor. The good agreement between calculations and experiment confirms the attractive nature of the potential energy surface driving the He* and Ne*-H2O dynamics.

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Author information

Authors and Affiliations

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

    Stefano Falcinelli, Marzio Rosi, Pietro Candori & Franco Vecchiocattivi

  2. ISTM-CNR, University of Perugia, Via Elce di Sotto 8, 06123, Perugia, Italy

    Marzio Rosi

  3. Department of Chemistry, University of Perugia, Via Elce di Sotto, 8, 06123, Perugia, Italy

    Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago & Fernando Pirani

Authors
  1. Stefano Falcinelli
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  2. Marzio Rosi
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  3. Pietro Candori
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  4. Franco Vecchiocattivi
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  5. Alessio Bartocci
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  6. Andrea Lombardi
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  7. Noelia Faginas Lago
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  8. Fernando Pirani
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Editors and Affiliations

  1. L-I.S.U.T. - D.A.P.I.t. Facoltà Ingegneria, Università degli Studi della Basilicata, Viale dell’Ateneo Lucano, 10, 85100, Potenza, Italy

    Beniamino Murgante

  2. Covenant University, Canaanland, Ota, Nigeria

    Sanjay Misra

  3. Partimento di Scienze e Tecnologie per LAgricoltura, le Foreste, la Natura e lEnergia, Università degli Studi della Tuscia, Via S. Camillo de Lellis, snc, 01100, Viterbo, Italy

    Maurizio Carlini

  4. Dipartimento di Scienze dell’Ingegneria Civile e dell’Architecttura, Politecnico di Bari, Via Orabona, 4, 70125, Bari, Italy

    Carmelo M. Torre

  5. International University VNU-HCM, Quarter 6, Linh Trung, Thu Duc, Ho Chi Minh City, Vietnam

    Hong-Quang Nguyen

  6. School of Business Systems, Monash University, 3800, Clayton, VIC, Australia

    David Taniar

  7. Department of Intelligent Informatics, Kyushu Sangyo University, 2-3-1 Matsukadai, 813-8503, Higashi-ku, Fukuoka, Japan

    Bernady O. Apduhan

  8. Department of Mathematics and Computer Science, University of Perugia, Via Vanvitelli, 1, 06123, Perugia, Italy

    Osvaldo Gervasi

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Falcinelli, S. et al. (2013). Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2013. ICCSA 2013. Lecture Notes in Computer Science, vol 7971. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-39637-3_6

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  • DOI: https://doi.org/10.1007/978-3-642-39637-3_6

  • Publisher Name: Springer, Berlin, Heidelberg

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  • Online ISBN: 978-3-642-39637-3

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