Journal of Computational Chemistry

Cover image for Vol. 32 Issue 6

30 April 2011

Volume 32, Issue 6

Pages 987–1209

  1. Reviews

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    2. Reviews
    3. Rapid Communications
    4. Software News and Updates
    1. Theoretical study on the kinetics of OH radical reactions with CH3OOH and CH3CH2OOH (pages 987–997)

      Jie Luo, Xiujuan Jia, Yang Gao, Guicai Song, Yanbo Yu, Rongshun Wang and Xiumei Pan

      Version of Record online: 14 OCT 2010 | DOI: 10.1002/jcc.21684

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    1. Adsorption and dissociation of NH3 on clean and hydroxylated TiO2 rutile (110) surfaces: A computational study (pages 1101–1112)

      Jee-Gong Chang, Hsin-Tsung Chen, Shin-Pon Ju, Ching-Sheng Chang and Meng-Hsiung Weng

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jcc.21690

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    2. Inter- and intramolecular dispersion interactions (pages 1117–1127)

      Marcel Swart, Miquel Solà and F. Matthias Bickelhaupt

      Version of Record online: 4 NOV 2010 | DOI: 10.1002/jcc.21693

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      Corrected by:

      Corrigendum: Corrigendum: Inter- and intramolecular dispersion interactions

      Vol. 34, Issue 27, 2401–2402, Version of Record online: 19 JUL 2013

    3. Three-dimensional visualization of the first hyperpolarizability tensor (pages 1128–1134)

      Adam Tuer, Serguei Krouglov, Richard Cisek, Danielle Tokarz and Virginijus Barzda

      Version of Record online: 19 NOV 2010 | DOI: 10.1002/jcc.21694

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  2. Rapid Communications

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    2. Reviews
    3. Rapid Communications
    4. Software News and Updates
    1. Spin-driven activation of dioxygen in various metalloenzymes and their inspired models (pages 1178–1182)

      Aurelien De La Lande, Dennis R. Salahub, Jacques Maddaluno, Anthony Scemama, Julien Pilme, Olivier Parisel, Helene Gerard, Michel Caffarel and Jean-Philip Piquemal

      Version of Record online: 29 NOV 2010 | DOI: 10.1002/jcc.21698

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  3. Software News and Updates

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    2. Reviews
    3. Rapid Communications
    4. Software News and Updates
    1. You have full text access to this OnlineOpen article
      Wordom: A user-friendly program for the analysis of molecular structures, trajectories, and free energy surfaces (pages 1183–1194)

      Michele Seeber, Angelo Felline, Francesco Raimondi, Stefanie Muff, Ran Friedman, Francesco Rao, Amedeo Caflisch and Francesca Fanelli

      Version of Record online: 29 NOV 2010 | DOI: 10.1002/jcc.21688

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