Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 March 2012

Volume 33, Issue 7

Pages 715–816

  1. Reviews

    1. Top of page
    2. Reviews
    3. Full Papers
    4. Software News and Updates
  2. Full Papers

    1. Top of page
    2. Reviews
    3. Full Papers
    4. Software News and Updates
    1. Recent performance improvements to the DFT and TDDFT in GAMESS (pages 723–731)

      Michael E. Lasinski, Nichols A. Romero, Shawn T. Brown and Jean-Philippe Blaudeau

      Version of Record online: 13 JAN 2012 | DOI: 10.1002/jcc.22890

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    2. “First-Principles” kinetic monte carlo simulations revisited: CO oxidation over RuO2(110) (pages 757–766)

      Franziska Hess, Attila Farkas, Ari P. Seitsonen and Herbert Over

      Version of Record online: 18 JAN 2012 | DOI: 10.1002/jcc.22902

      Thumbnail image of graphical abstract
    3. Ab initio calculation of structure and transport properties of He…X (X = Zn, Cd, Hg) van der Waals complexes (pages 767–778)

      Vladimír Sládek, Vladimír Lukeš, Michal Ilčin and Stanislav Biskupič

      Version of Record online: 6 JAN 2012 | DOI: 10.1002/jcc.22904

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    4. Interactive quantum chemistry: A divide-and-conquer ASED-MO method (pages 779–790)

      Mäel Bosson, Caroline Richard, Antoine Plet, Sergei Grudinin and Stephane Redon

      Version of Record online: 7 JAN 2012 | DOI: 10.1002/jcc.22905

      Thumbnail image of graphical abstract
  3. Software News and Updates

    1. Top of page
    2. Reviews
    3. Full Papers
    4. Software News and Updates
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