International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

April 2010

Volume 110, Issue 5

Pages 963–1136

  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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Erratum
    1. A general method to obtain Sturmian functions for continuum and bound state problems with Coulomb interactions (pages 963–974)

      A. L. Frapiccini, J. M. Randazzo, G. Gasaneo and F. D. Colavecchia

      Article first published online: 6 JUL 2009 | DOI: 10.1002/qua.22029

    2. Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium (pages 1003–1018)

      Eno E. Ebenso, Taner Arslan, Fatma Kandemirli, Necmettin Caner and Ian Love

      Article first published online: 10 AUG 2009 | DOI: 10.1002/qua.22249

  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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Erratum
    1. Broken symmetry density functional study of a mixed-valence unsymmetrical dinuclear iron complex (pages 1048–1055)

      Dalva E. C. Ferreira, Wagner B. De Almeida, Ademir Neves and Willian R. Rocha

      Article first published online: 6 JUL 2009 | DOI: 10.1002/qua.22086

    2. Molecular interaction energies and optimal configuration of a cubane dimer (pages 1063–1069)

      Alexander V. Nikolaev, Bart Verberck and Galina V. Ionova

      Article first published online: 10 APR 2009 | DOI: 10.1002/qua.22073

    3. Dynamical properties and thermal rate coefficients for the Na + HF reaction using genetic algorithm (pages 1070–1079)

      Adoniel W. S. Antunes, Wiliam Ferreira Da Cunha, Geraldo Magela E Silva, João B. L. Martins and Ricardo Gargano

      Article first published online: 16 JUL 2009 | DOI: 10.1002/qua.22152

    4. Orientation of endohedral H2, CO, and LiH inside heptagon-containing C58 and C58H18 (pages 1080–1085)

      Lili Sun, Yingfei Chang, Shuwei Tang and Rongshun Wang

      Article first published online: 6 JUL 2009 | DOI: 10.1002/qua.22070

  3. 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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Erratum
    1. High-lying core-excited quartet states in Li-like N4+ and F6+ ions (pages 1108–1116)

      Lin Zhuo, Feng Chen and Bing Cong Gou

      Article first published online: 25 NOV 2009 | DOI: 10.1002/qua.22470

  4. 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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Erratum
  5. Erratum

    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 Atoms and Molecules
    5. Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters
    6. Erratum
    1. You have free access to this content
      Erratum: Periodicity in proton conduction along a H-bonded chain. Application to biomolecules (page 1136)

      Alexander Isaev, Tapas Kar and Steve Scheiner

      Article first published online: 2 APR 2009 | DOI: 10.1002/qua.22141

      This article corrects:

      Periodicity in proton conduction along a H-bonded chain. Application to biomolecules

      Vol. 108, Issue 3, 607–616, Article first published online: 1 OCT 2007

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