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Wiley Interdisciplinary Reviews: Computational Molecular Science

Cover image for Vol. 4 Issue 1

January/February 2014

Volume 4, Issue 1

Pages 1–89

  1. Issue Information

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
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      Issue information

      Article first published online: 18 DEC 2013 | DOI: 10.1002/wcms.1182

  2. Advanced Review

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. You have free access to this content
  3. Software Focus

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
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      cp2k: atomistic simulations of condensed matter systems (pages 15–25)

      Jürg Hutter, Marcella Iannuzzi, Florian Schiffmann and Joost VandeVondele

      Article first published online: 13 JUN 2013 | DOI: 10.1002/wcms.1159

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      Newton-X: a surface-hopping program for nonadiabatic molecular dynamics (pages 26–33)

      Mario Barbatti, Matthias Ruckenbauer, Felix Plasser, Jiri Pittner, Giovanni Granucci, Maurizio Persico and Hans Lischka

      Article first published online: 13 JUN 2013 | DOI: 10.1002/wcms.1158

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  4. Advanced Reviews

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
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      Chemoinformatics applications of cluster analysis (pages 34–48)

      John David MacCuish and Norah Elizabeth MacCuish

      Article first published online: 20 MAY 2013 | DOI: 10.1002/wcms.1152

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  5. Overview

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. You have free access to this content
  6. Advanced Review

    1. Top of page
    2. Issue Information
    3. Advanced Review
    4. Software Focus
    5. Advanced Reviews
    6. Overview
    7. Advanced Review
    1. You have free access to this content

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