Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

5 January 2012

Volume 33, Issue 1

Pages 1–117

  1. Original Articles

    1. Top of page
    2. Original Articles
    1. Linear-scaling soft-core scheme for alchemical free energy calculations (pages 25–33)

      Floris P. Buelens and Helmut Grubmüller

      Version of Record online: 26 SEP 2011 | DOI: 10.1002/jcc.21938

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    2. Implementation of renormalized excitonic method at ab initio level (pages 34–43)

      Hongjiang Zhang, Jean-Paul Malrieu, Haibo Ma and Jing Ma

      Version of Record online: 29 SEP 2011 | DOI: 10.1002/jcc.21941

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    3. First-principle investigation of magnetic coupling mechanism in hypothesized A-site-ordered perovskite YMn3Sc4O12 (pages 82–87)

      Hongping Li, Shuhui Lv, Yijia Bai, Yanjie Xia, Xiaojuan Liu and Jian Meng

      Version of Record online: 4 OCT 2011 | DOI: 10.1002/jcc.21946

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    4. Oxygen versus sulfur: Structure and reactivity of substituted arsine oxides and arsine sulfides (pages 112–117)

      Andreas Orthaber, Alexander F. Sax and Kevin A. Francesconi

      Version of Record online: 30 SEP 2011 | DOI: 10.1002/jcc.21950

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