Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

15 July 2010

Volume 31, Issue 9

Pages 1795–1943

    1. Half metallic properties of LaSrVMoO6 (pages 1795–1798)

      Weiyu Song, Jing Wang, Jian Meng and Zhijian Wu

      Version of Record online: 20 MAR 2010 | DOI: 10.1002/jcc.21499

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    2. Practical modeling of molecular systems with symmetries (pages 1799–1814)

      Sergei Grudinin and Stephane Redon

      Version of Record online: 10 MAR 2010 | DOI: 10.1002/jcc.21434

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    3. Bonding, aromaticity, and structure of trigonal dianion metal clusters (pages 1815–1821)

      Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino and Pratim Kumar Chattaraj

      Version of Record online: 17 NOV 2009 | DOI: 10.1002/jcc.21452

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    4. Investigation of binding features: Effects on the interaction between CYP2A6 and inhibitors (pages 1822–1831)

      Chunzhi Ai, Yan Li, Yonghua Wang, Wei Li, Peipei Dong, Guangbo Ge and Ling Yang

      Version of Record online: 24 MAR 2010 | DOI: 10.1002/jcc.21455

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    5. Novel graph distance matrix (pages 1832–1841)

      Milan Randić, Tomaž Pisanski, Marjana Novič and Dejan Plavšić

      Version of Record online: 17 MAR 2010 | DOI: 10.1002/jcc.21461

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    6. Calculation of chemical reaction energies using the AM05 density functional (pages 1860–1863)

      Richard P. Muller, Ann E. Mattsson and Curtis L. Janssen

      Version of Record online: 19 JAN 2010 | DOI: 10.1002/jcc.21472

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    7. Polymer conformations in internal (polyspherical) coordinates (pages 1873–1881)

      Janne Pesonen and Krister O. E. Henriksson

      Version of Record online: 15 JAN 2010 | DOI: 10.1002/jcc.21474

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    8. Polymer dynamics in torsion space (pages 1882–1888)

      Krister O. E. Henriksson and Janne Pesonen

      Version of Record online: 7 JAN 2010 | DOI: 10.1002/jcc.21475

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    9. A new Lamarckian genetic algorithm for flexible ligand-receptor docking (pages 1911–1918)

      Jan Fuhrmann, Alexander Rurainski, Hans-Peter Lenhof and Dirk Neumann

      Version of Record online: 15 JAN 2010 | DOI: 10.1002/jcc.21478

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    10. Protein-protein docking by shape-complementarity and property matching (pages 1919–1928)

      Tim Geppert, Ewgenij Proschak and Gisbert Schneider

      Version of Record online: 19 JAN 2010 | DOI: 10.1002/jcc.21479

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