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Following Resonant Compound States after Electron Attachment

A Quantum Modelling of the Dynamical Evolution in Molecular Anions

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Radiation Damage in Biomolecular Systems

Part of the book series: Biological and Medical Physics, Biomedical Engineering ((BIOMEDICAL))

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Abstract

The evolution pathways which can follow temporary, metastable electron attachment processes involving polyatomic molecules in the gas phase are analysed using a quantum method for the calculation of such transient anionic states as a function of molecular deformations. The method is specifically applied, as an example, to the two-dimensional deformations of bond geometries for the HCN molecule and shown to describe well the interplay between electronic and nuclear degrees of freedom.

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Acknowledgements

We thank the CASPUR Consortium for the computational help. One of us (A.G.S.) acknowledges the support of the Departamento de Posgrado y Especialización, Consejo Superior de Investigaciones Científicas (CSIC) for her stay at the University of Rome during the completion of this work.

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Authors and Affiliations

  1. Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas, 28006, Madrid, Spain

    Ana G. Sanz

  2. Department of Chemistry and CNISM, The University of Rome ‘Sapienza’, 00185, Rome, Italy

    Francesco Sebastianelli & Francesco A. Gianturco

Authors
  1. Ana G. Sanz
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  2. Francesco Sebastianelli
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  3. Francesco A. Gianturco
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Corresponding author

Correspondence to Francesco A. Gianturco .

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Editors and Affiliations

  1. , Consejo Superior de Investigaciones Cien, Instituto de Física Fundamental (IFF), Serrano 113-bis, Madrid, 28006, Spain

    Gustavo García Gómez-Tejedor

  2. Consejo Superior de Investigaciones Cien, Instituto de Física Fundamental (IFF), Serrano 113bis, Madrid, 28006, Spain

    Martina Christina Fuss

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Sanz, A.G., Sebastianelli, F., Gianturco, F.A. (2012). Following Resonant Compound States after Electron Attachment. In: García Gómez-Tejedor, G., Fuss, M. (eds) Radiation Damage in Biomolecular Systems. Biological and Medical Physics, Biomedical Engineering. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-2564-5_4

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  • DOI: https://doi.org/10.1007/978-94-007-2564-5_4

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  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-007-2563-8

  • Online ISBN: 978-94-007-2564-5

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