Journal of Computational Chemistry

Cover image for Vol. 31 Issue 14

15 November 2010

Volume 31, Issue 14

Pages 2533–2676

    1. 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

      Article first published online: 6 MAY 2010 | DOI: 10.1002/jcc.21550

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    2. 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

      Article first published online: 17 MAY 2010 | DOI: 10.1002/jcc.21556

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    3. 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

      Article first published online: 17 MAY 2010 | DOI: 10.1002/jcc.21560

      Thumbnail image of graphical abstract
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