Journal of Computational Chemistry

Cover image for Vol. 32 Issue 11

August 2011

Volume 32, Issue 11

Pages 2339–2513

  1. Original Articles

    1. Top of page
    2. Original Articles
    3. Software News and Updates
    1. SwissParam: A fast force field generation tool for small organic molecules (pages 2359–2368)

      Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier and Olivier Michielin

      Article first published online: 3 MAY 2011 | DOI: 10.1002/jcc.21816

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    2. Application of a ligand-based theoretical approach to derive conversion paths and ligand conformations in CYP11B2-mediated aldosterone formation (pages 2441–2448)

      Luc Roumen, Bram Van Hoof, Koen Pieterse, Peter A.J. Hilbers, Erica M.G. Custers, Ralf Plate, Marcel De Gooyer, Ilona P.E. Beugels, Judith M.A. Emmen, Dirk Leysen, Jos F.M. Smits, Harry C.J. Ottenheijm and J.J. Rob Hermans

      Article first published online: 19 MAY 2011 | DOI: 10.1002/jcc.21827

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    3. Giant magnetic moment of the core-shell Co13@Mn20 clusters: First-principles calculations (pages 2474–2478)

      Qun Jing, Hai-Bin Cao, Gui-Xian Ge, Yuan Xu Wang, Hong-Xia Yan, Zi-Ying Zhang and Yun-Hu Liu

      Article first published online: 17 MAY 2011 | DOI: 10.1002/jcc.21831

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  2. Software News and Updates

    1. Top of page
    2. Original Articles
    3. Software News and Updates
    1. You have free access to this content
      The MP2-F12 method in the TURBOMOLE program package (pages 2492–2513)

      Rafał A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper and David P. Tew

      Article first published online: 17 MAY 2011 | DOI: 10.1002/jcc.21825

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