Journal of Computational Chemistry

Cover image for Vol. 31 Issue 14

15 November 2010

Volume 31, Issue 14

Pages 2533–2676

    1. Modeling environmental effects on charge density distributions in polar organometallics: Validation of embedded cluster models for the methyl lithium crystal (pages 2568–2576)

      Kathrin Götz, Florian Meier, Carlo Gatti, Asbjörn M. Burow, Marek Sierka, Joachim Sauer and Martin Kaupp

      Version of Record online: 14 MAY 2010 | DOI: 10.1002/jcc.21548

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    2. Counting the cyclocized polyphenacenes (pages 2577–2584)

      Jianguo Qian and Fuji Zhang

      Version of Record online: 17 MAY 2010 | DOI: 10.1002/jcc.21549

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    3. Accurate prediction of enthalpies of formation for a large set of organic compounds (pages 2585–2592)

      Cun-Xi Liu, Hai-Xia Wang, Ze-Rong Li, Chong-Wen Zhou, Han-Bing Rao and Xiang-Yuan Li

      Version of Record online: 6 MAY 2010 | DOI: 10.1002/jcc.21550

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    4. DNA-backbone radio resistivity induced by spin blockade effect (pages 2601–2606)

      Ramin M. Abolfath and Thomas Brabec

      Version of Record online: 19 MAY 2010 | DOI: 10.1002/jcc.21554

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    5. Chemical reactivity predictions: Use of data mining techniques for analyzing regioselective azidolysis of epoxides (pages 2612–2619)

      Alice Borghini, Paolo Crotti, Daniele Pietra, Lucilla Favero and Anna Maria Bianucci

      Version of Record online: 17 MAY 2010 | DOI: 10.1002/jcc.21556

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    6. The role of water in the proton transfer reaction mechanism in tryptophan (pages 2642–2649)

      Esteban Vöhringer-Martinez and Alejandro Toro-Labbé

      Version of Record online: 17 MAY 2010 | DOI: 10.1002/jcc.21559

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    7. Electronic structures and nonlinear optical properties of highly deformed halofullerenes C3v C60F18 and D3d C60Cl30 (pages 2650–2657)

      Shu-Wei Tang, Jing-Dong Feng, Yong-Qing Qiu, Hao Sun, Feng-Di Wang, Ying-Fei Chang and Rong-Shun Wang

      Version of Record online: 17 MAY 2010 | DOI: 10.1002/jcc.21560

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