Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

October 2004

Volume 25, Issue 13

Pages 1551–1676

  1. Feature Article

    1. Top of page
    2. Feature Article
    1. Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation (pages 1576–1583)

      Chinapong Kritayakornupong, Kristof Plankensteiner and Bernd M. Rode

      Version of Record online: 1 JUL 2004 | DOI: 10.1002/jcc.20085

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    2. UCSF Chimera—A visualization system for exploratory research and analysis (pages 1605–1612)

      Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang, Gregory S. Couch, Daniel M. Greenblatt, Elaine C. Meng and Thomas E. Ferrin

      Version of Record online: 1 JUL 2004 | DOI: 10.1002/jcc.20084

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    3. Classical force field parameters for the heme prosthetic group of cytochrome c (pages 1613–1622)

      Felix Autenrieth, Emad Tajkhorshid, Jerome Baudry and Zaida Luthey-Schulten

      Version of Record online: 2 JUL 2004 | DOI: 10.1002/jcc.20079

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    4. Energetic and topological analysis of the reaction of Mo and Mo2 with NH3, C2H2, and C2H4 molecules (pages 1647–1655)

      Maria Del Carmen Michelini, Nino Russo, Mohammad Esmaïl Alikhani and Bernard Silvi

      Version of Record online: 13 JUL 2004 | DOI: 10.1002/jcc.20087

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