Journal of Computational Chemistry

Cover image for Vol. 32 Issue 1

15 January 2011

Volume 32, Issue 1

Pages 1–186

    1. From acetylene complexes to vinylidene structures: The GeC2H2 system (pages 15–22)

      Qiang Hao, Andrew C. Simmonett, Yukio Yamaguchi, De-Cai Fang and Henry F. Schaefer III

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21593

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    2. Optimizing energy functions for protein–protein interface design (pages 23–32)

      Oz Sharabi, Chen Yanover, Ayelet Dekel and Julia M. Shifman

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21594

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    3. Isomerization of stilbene using enforced geometry optimization (pages 43–53)

      Jon Baker and Krzysztof Wolinski

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21597

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    4. Parallel implementation of γ-point pseudopotential plane-wave DFT with exact exchange (pages 54–69)

      Eric J. Bylaska, Kiril Tsemekhman, Scott B. Baden, John H. Weare and Hannes Jonsson

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21598

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    5. Deriving the phylogenetic information from some physicochemical properties of protein sequences computed (pages 70–80)

      Shih-Hau Chiu, Chien-Chi Chen, Gwo-Fang Yuan and Thy-Hou Lin

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21599

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    6. Predicting the accuracy of protein–ligand docking on homology models (pages 81–98)

      Annalisa Bordogna, Alessandro Pandini and Laura Bonati

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21601

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    7. Hydrogen-bond networks in finite ice nanotubes (pages 99–105)

      A. M. Tokmachev and R. Dronskowski

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21603

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    8. Correlation between thermal conductivity and bond length alternation in carbon nanotubes: A combined reverse nonequilibrium molecular dynamics—Crystal orbital analysis (pages 121–133)

      Mohammad Alaghemandi, Joachim Schulte, Frédéric Leroy, Florian Müller-plathe and Michael C. Böhm

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21605

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      NUPACK: Analysis and design of nucleic acid systems (pages 170–173)

      Joseph N. Zadeh, Conrad D. Steenberg, Justin S. Bois, Brian R. Wolfe, Marshall B. Pierce, Asif R. Khan, Robert M. Dirks and Niles A. Pierce

      Article first published online: 17 NOV 2010 | DOI: 10.1002/jcc.21596

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    2. You have free access to this content
  2. Letters to the Editor

    1. Top of page
    2. Software News and Updates
    3. Letters to the Editor
    4. Rapid Communications
  3. Rapid Communications

    1. Top of page
    2. Software News and Updates
    3. Letters to the Editor
    4. Rapid Communications

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