Journal of Computational Chemistry

Cover image for Journal of Computational Chemistry

30 January 2009

Volume 30, Issue 2

Pages 173–335

    1. Formation pathways of DMSO from DMS-OH in the presence of O2 and NOx: A theoretical study (pages 173–182)

      Juan M. Ramírez-Anguita, Àngels González-Lafont and José M. Lluch

      Version of Record online: 19 JUN 2008 | DOI: 10.1002/jcc.21049

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    2. Theoretical study on the reaction of SiH(CH3)3 with SiH3 radical (pages 236–242)

      Hui Zhang, Gui-Ling Zhang, Jing-Yan Liu, Miao Sun, Bo Liu and Ze-Sheng Li

      Version of Record online: 19 JUN 2008 | DOI: 10.1002/jcc.21047

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    3. Molecular mechanics models for tetracycline analogs (pages 243–255)

      Alexey Aleksandrov and Thomas Simonson

      Version of Record online: 9 JUL 2008 | DOI: 10.1002/jcc.21040

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    4. A novel method for enzyme design (pages 256–267)

      Xiaolei Zhu and Luhua Lai

      Version of Record online: 9 JUL 2008 | DOI: 10.1002/jcc.21050

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    5. Accelerating molecular dynamic simulation on the cell processor and Playstation 3 (pages 268–274)

      Edgar Luttmann, Daniel L. Ensign, Vishal Vaidyanathan, Mike Houston, Noam Rimon, Jeppe Øland, Guha Jayachandran, Mark Friedrichs and Vijay S. Pande

      Version of Record online: 9 JUL 2008 | DOI: 10.1002/jcc.21054

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    6. Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine (pages 275–284)

      Albert Poater, Ana Gallegos Saliner, Ramon Carbó-Dorca, Jordi Poater, Miquel Solà, Luigi Cavallo and Andrew P. Worth

      Version of Record online: 9 JUL 2008 | DOI: 10.1002/jcc.21041

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    7. Neutral hydrolyses of carbon disulfide: An ab initio study of water catalysis (pages 285–294)

      Chao Deng, Xiao-Peng Wu, Xiao-Ming Sun, Yi Ren and Ying-Hong Sheng

      Version of Record online: 8 JUL 2008 | DOI: 10.1002/jcc.21058

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    8. Fragment-based quantitative structure–activity relationship (FB-QSAR) for fragment-based drug design (pages 295–304)

      Qi-Shi Du, Ri-Bo Huang, Yu-Tuo Wei, Zong-Wen Pang, Li-Qin Du and Kuo-Chen Chou

      Version of Record online: 8 JUL 2008 | DOI: 10.1002/jcc.21056

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  1. Review

    1. Top of page
    2. Review
    1. Quantum chemistry in parallel with PQS (pages 317–335)

      Jon Baker, Krzysztof Wolinski, Massimo Malagoli, Don Kinghorn, Pawel Wolinski, Gábor Magyarfalvi, Svein Saebo, Tomasz Janowski and Peter Pulay

      Version of Record online: 9 JUL 2008 | DOI: 10.1002/jcc.21052

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