Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

September 2010

Volume 31, Issue 12

Pages 2233–2369

    1. Theoretical investigation of an energetic fullerene derivative (pages 2233–2237)

      Bisheng Tan, Rufang Peng, Hongbo Li, Bo Jin, Shijin Chu and Xinping Long

      Version of Record online: 25 MAY 2010 | DOI: 10.1002/jcc.21489

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    2. A theoretical study on the catalytic mechanism of Mus musculus adenosine deaminase (pages 2238–2247)

      Xian-Hui Wu, Guo-Lin Zou, Jun-Min Quan and Yun-Dong Wu

      Version of Record online: 6 MAY 2010 | DOI: 10.1002/jcc.21513

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    3. Computational studies on the mechanism and kinetics of Cl reaction with C2H5I (pages 2263–2272)

      Xiu-Juan Jia, You-Jun Liu, Jing-Yu Sun, Hao Sun, Fang Wang, Zhong-Min Su, Xiu-Mei Pan and Rong-Shun Wang

      Version of Record online: 13 MAY 2010 | DOI: 10.1002/jcc.21516

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    4. ForceFit: A code to fit classical force fields to quantum mechanical potential energy surfaces (pages 2307–2316)

      Benjamin Waldher, Jadwiga Kuta, Samuel Chen, Neil Henson and Aurora E. Clark

      Version of Record online: 25 MAR 2010 | DOI: 10.1002/jcc.21523

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      A toolkit to assist ONIOM calculations (pages 2363–2369)

      Peng Tao and H. Bernhard Schlegel

      Version of Record online: 25 MAR 2010 | DOI: 10.1002/jcc.21524

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