International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

15 March 2009

Volume 109, Issue 4

Pages 641–896

  1. Theoretical and Computational Developments

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    1. Hosoya polynomials of TUC4C8(R) nanotubes (pages 641–649)

      Jianfu Chen, Shoujun Xu and Heping Zhang

      Version of Record online: 6 OCT 2008 | DOI: 10.1002/qua.21873

    2. A reasonable criterion of reactivities at the defective region of single-walled carbon nanotubes (pages 668–678)

      Gui-Xiao Jia, Jun-Qian Li, Lin-Gang Chen, Yi Li, Kai-Ning Ding and Yong-Fan Zhang

      Version of Record online: 2 OCT 2008 | DOI: 10.1002/qua.21859

    3. DFT study on RuII-catalyzed cyclization of terminal alkynals to cycloalkenes (pages 679–687)

      Jinsheng Zhang, Wei Shen, Ruiqiu Liu, Youqing Yu, Hailing Wu and Ming Li

      Version of Record online: 15 OCT 2008 | DOI: 10.1002/qua.21861

    4. First principles study on the structure and electronic properties of 2-nitrimino-1-nitroimidazolidine (pages 720–725)

      Hong Zhang, Lian-Jun Xu, Fu-Chun Zhang, Xin-Lu Cheng and Guang-Wen An

      Version of Record online: 2 OCT 2008 | DOI: 10.1002/qua.21866

  2. Properties, Dynamics, and Electronic Structure of Atoms and Molecules

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    1. Theoretical investigation of carotenoid ultraviolet spectra (pages 739–745)

      João B. L. Martins, Jussara A. Durães, Maria J. A. Sales, Alessandra F. A. Vilela, Geraldo M. e Silva and Ricardo Gargano

      Version of Record online: 2 OCT 2008 | DOI: 10.1002/qua.21845

    2. Molecular dynamics simulation on HP1 protein binding by histone H3 tail methylation and phosphorylation (pages 746–755)

      Yan-Ke Jiang, Jian-Wei Zou, Yu-Qian Wu, Na Zhang, Qing-Sen Yu and Yong-Jun Jiang

      Version of Record online: 20 OCT 2008 | DOI: 10.1002/qua.21872

    3. On the relative stability of cobalt- and nickel-based amidinate complexes against β-migration (pages 756–763)

      Jiaye Li, Jinping Wu, Chenggang Zhou, Bo Han, Xinjian Lei, Roy Gordon and Hansong Cheng

      Version of Record online: 16 OCT 2008 | DOI: 10.1002/qua.21880

    4. Theoretical study on reaction mechanism of isocyanate radical NCO with ethene (pages 801–810)

      Jing-Lin Pang, Hong-Bin Xie, Shao-Wen Zhang, Yi-Hong Ding and Ao-Qing Tang

      Version of Record online: 15 OCT 2008 | DOI: 10.1002/qua.21877

    5. Protein secondary structure class assignment on the basis of a new graphic representation (pages 819–825)

      Cangzhi Jia, Tian Liu, Xiangde Zhang and Shijun Yan

      Version of Record online: 16 OCT 2008 | DOI: 10.1002/qua.21865

    6. DFT study of the structure and spectral behavior of new pt(II) complexes with 5-methyl-5(4-pyridyl)hydantoin (pages 826–836)

      Adriana Bakalova, Hristo Varbanov, Stancho Stanchev, Darvin Ivanov and Frank Jensen

      Version of Record online: 16 OCT 2008 | DOI: 10.1002/qua.21890

  3. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics
    1. Elemental chains (pages 837–848)

      Michael Springborg and Yi Dong

      Version of Record online: 16 OCT 2008 | DOI: 10.1002/qua.21900

    2. Semiempirical electronic structure calculation on Ca and Pb apatites (pages 849–860)

      Maria Matos, Joice Terra and D. E. Ellis

      Version of Record online: 2 OCT 2008 | DOI: 10.1002/qua.21887

    3. Structure and stability of high-spin Aun(n = 2–8) clusters (pages 861–869)

      Zhen-Yi Jiang, Yu-Qing Hou, Kuo-Hsing Lee and San-Yan Chu

      Version of Record online: 2 OCT 2008 | DOI: 10.1002/qua.21856

  4. Theoretical Biochemistry and Biophysics

    1. Top of page
    2. Theoretical and Computational Developments
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    5. Theoretical Biochemistry and Biophysics

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