Journal of Computational Chemistry

Cover image for Vol. 31 Issue 16

December 2010

Volume 31, Issue 16

Pages 2827–2970

  1. Reviews

    1. Top of page
    2. Reviews
    3. Software News and Updates
    1. Structural, electronic, bonding, magnetic, and optical properties of bimetallic [RunAum]0/+ (n + m ≤ 3) clusters (pages 2836–2852)

      Dimitrios N. Garbounis, Athanassios C. Tsipis and Constantinos A. Tsipis

      Version of Record online: 31 MAY 2010 | DOI: 10.1002/jcc.21575

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    2. vmdICE: A plug-in for rapid evaluation of molecular dynamics simulations using VMD (pages 2868–2873)

      Bernhard Knapp, Nadja Lederer, Ulrich Omasits and Wolfgang Schreiner

      Version of Record online: 27 MAY 2010 | DOI: 10.1002/jcc.21581

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    3. Comparison of aromatic NH···π, OH···π, and CH···π interactions of alanine using MP2, CCSD, and DFT methods (pages 2874–2882)

      Neetha Mohan, Kunduchi P. Vijayalakshmi, Nobuaki Koga and Cherumuttathu H. Suresh

      Version of Record online: 31 MAY 2010 | DOI: 10.1002/jcc.21582

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    4. Structural stability and phase transition in OsC and RuC (pages 2883–2888)

      Erjun Zhao, Jinping Wang and Zhijian Wu

      Version of Record online: 31 MAY 2010 | DOI: 10.1002/jcc.21583

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    5. A generalized higher order kernel energy approximation method (pages 2889–2899)

      Stewart N. Weiss, Lulu Huang and Lou Massa

      Version of Record online: 16 JUN 2010 | DOI: 10.1002/jcc.21584

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    6. Identifying and reducing error in cluster-expansion approximations of protein energies (pages 2900–2914)

      Seungsoo Hahn, Orr Ashenberg, Gevorg Grigoryan and Amy E. Keating

      Version of Record online: 2 JUL 2010 | DOI: 10.1002/jcc.21585

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    7. QM/MM method for metal–organic interfaces (pages 2955–2966)

      Maria L. Sushko, Peter V. Sushko, Igor V. Abarenkov and Alexander L. Shluger

      Version of Record online: 19 JUL 2010 | DOI: 10.1002/jcc.21591

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  2. Software News and Updates

    1. Top of page
    2. Reviews
    3. Software News and Updates
    1. You have free access to this content
      TmoleX—A graphical user interface for TURBOMOLE (pages 2967–2970)

      Claudia Steffen, Klaus Thomas, Uwe Huniar, Arnim Hellweg, Oliver Rubner and Alexander Schroer

      Version of Record online: 31 MAY 2010 | DOI: 10.1002/jcc.21576

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