International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

May 2010

Volume 110, Issue 6

Pages 1137–1305

  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. Additivity and transferability of exchange energy (pages 1137–1141)

      Jaime Fernández Rico, Rafael López, Ignacio Ema and Guillermo Ramírez

      Version of Record online: 16 SEP 2009 | DOI: 10.1002/qua.22221

    2. Comparative theoretical study of small Rhn nanoparticles (2 ≤ n ≤ 8) using DFT methods (pages 1152–1164)

      V. Bertin, R. Lopez-Rendón, G. del Angel, E. Poulain, R. Avilés and V. Uc-Rosas

      Version of Record online: 13 AUG 2009 | DOI: 10.1002/qua.22220

    3. Structure and dissociation of cyanogen halides BrCN and ICN (pages 1165–1171)

      I. Bhattacharyya, B. Mondal, N. C. Bera and A. K. Das

      Version of Record online: 17 JUL 2009 | DOI: 10.1002/qua.22163

    4. Mechanisms for H2O decomposition on the Si(111)-7 × 7 surface: A DFT cluster model study (pages 1197–1205)

      Xinyu Peng, Xueye Wang, Liming Liu, Yanling Wang and Yuanqiang Tan

      Version of Record online: 29 SEP 2009 | DOI: 10.1002/qua.22219

  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. Potential high-energy pentazolides: HB(N5)3M1∼2(N5)3BH (M = Be, Mg, Ca, Zn, and Cd) (pages 1235–1244)

      Yu Xu, Fengjuan Zhao, Yan Zhang, Yulong Gu, Tongxiang Liu and Jian Cui

      Version of Record online: 21 OCT 2009 | DOI: 10.1002/qua.22169

    2. A DFT study on the hydrolysis mechanism of NH-tautomeric antitumors of [HL][trans-RuCl4L(dmso-S)] (pages 1252–1263)

      Jin Can Chen, Lan Mei Chen, Si Yan Liao, Kang Cheng Zheng and Liang Nian Ji

      Version of Record online: 16 JUN 2009 | DOI: 10.1002/qua.22179

  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
  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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