Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 February 2012

Volume 33, Issue 5

Pages 475–593

  1. Original Articles

    1. Top of page
    2. Original Articles
    3. Software News and Updates
    4. Erratum
    1. Alder-ene reaction: Aromaticity and activation-strain analysis (pages 509–516)

      Israel Fernández and F. Matthias Bickelhaupt

      Version of Record online: 6 DEC 2011 | DOI: 10.1002/jcc.22877

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    2. Evaluation of protein-ligand binding free energy focused on its entropic components (pages 550–560)

      Shuntaro Chiba, Yuich Harano, Roland Roth, Masahiro Kinoshita and Minoru Sakurai

      Version of Record online: 8 DEC 2011 | DOI: 10.1002/jcc.22891

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      Corrected by:

      Erratum: Evaluation of protein-ligand binding free energy focused on its entropic components [J. Comp. Chem. 33, 550–560]

      Vol. 33, Issue 27, 2210, Version of Record online: 2 AUG 2012

    3. Virtual screening for compounds that mimic protein–protein interface epitopes (pages 573–579)

      Tim Geppert, Felix Reisen, Max Pillong, Volker Hähnke, Yusuf Tanrikulu, Christian P. Koch, Anna Maria Perna, Tatiana Batista Perez, Petra Schneider and Gisbert Schneider

      Version of Record online: 8 DEC 2011 | DOI: 10.1002/jcc.22894

      Thumbnail image of graphical abstract
  2. Software News and Updates

    1. Top of page
    2. Original Articles
    3. Software News and Updates
    4. Erratum
  3. Erratum

    1. Top of page
    2. Original Articles
    3. Software News and Updates
    4. Erratum
    1. You have free access to this content
      Analytical excited state forces for the time-dependent density-functional tight-binding method [J. Comp. Chem. 28, 2589] (page 593)

      D. Heringer, T. A. Niehaus, M. Wanko and Th. Frauenheim

      Version of Record online: 27 DEC 2011 | DOI: 10.1002/jcc.22916

      This article corrects:

      Analytical excited state forces for the time-dependent density-functional tight-binding method

      Vol. 28, Issue 16, 2589–2601, Version of Record online: 13 JUN 2007

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