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Theoretical Study of Reactions Relevant for Atmospheric Models of Titan: Interaction of Excited Nitrogen Atoms with Small Hydrocarbons

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Computational Science and Its Applications – ICCSA 2012 (ICCSA 2012)

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Abstract

The potential energy surface of the systems N(2D) + CH4, C2H4, and C2H6 have been investigated at B3LYP/aug-cc-pVTZ//CCSD(T)/aug-cc-pVTZ level in order to assist the interpretation of available experimental information very relevant for its implication for the chemical models of the atmosphere of Titan, and possibly of objects where both N2 and small hydrocarbons like methane are present, such as Triton and Pluto.

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Authors and Affiliations

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

    Marzio Rosi & Stefano Falcinelli

  2. ISTM-CNR, Perugia, Italy

    Marzio Rosi

  3. Department of Chemistry, University of Perugia, Perugia, Italy

    Nadia Balucani, Piergiorgio Casavecchia, Francesca Leonori & Dimitris Skouteris

Authors
  1. Marzio Rosi
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  2. Stefano Falcinelli
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  3. Nadia Balucani
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  4. Piergiorgio Casavecchia
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  5. Francesca Leonori
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  6. Dimitris Skouteris
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Editor information

Editors and Affiliations

  1. Laboratory of Urban and Territorial Systems, University of Basilicata, 10, Viale dell’Ateneo Lucano, 85100, Potenza, Italy

    Beniamino Murgante

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

    Osvaldo Gervasi

  3. Department of Cyber Security Science, Federal University of Technology, Gidan Kwano Campus, Minna, Nigeria

    Sanjay Misra

  4. Faculty of Engineering, Department of Electronics Engineering and Telecommunications, State University of Rio de Janeiro, Rua Sao Francisco Xavier, 524, 50. andar, sala 5145-F, Maracana, 20, 550-013, Rio de Janeiro, RJ, Brazil

    Nadia Nedjah

  5. Department of Production and Systems, University of Minho, Campus de Gualtar, 4710-057, Braga, Portugal

    Ana Maria A. C. Rocha

  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, Higashi-ku, 813-8503, Fukuoka, Japan

    Bernady O. Apduhan

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Rosi, M., Falcinelli, S., Balucani, N., Casavecchia, P., Leonori, F., Skouteris, D. (2012). Theoretical Study of Reactions Relevant for Atmospheric Models of Titan: Interaction of Excited Nitrogen Atoms with Small Hydrocarbons. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2012. ICCSA 2012. Lecture Notes in Computer Science, vol 7333. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-31125-3_26

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  • DOI: https://doi.org/10.1007/978-3-642-31125-3_26

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