International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Proceedings from the Fourth European Conference on Computational Chemistry

2004

Volume 96, Issue 6

Pages 519–626

Issue edited by: Antonio Laganà

    1. Introduction (page 519)

      Antonio Laganà

      Article first published online: 18 SEP 2003 | DOI: 10.1002/qua.10740

  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
    1. Parallel programming library for molecular dynamics simulations (pages 530–536)

      R. Trobec, M. Šterk, M. Praprotnik and D. Janežič

      Article first published online: 12 SEP 2003 | DOI: 10.1002/qua.10742

    2. Extrapolation methods and scaled perturbation theory for determining intermolecular potential energy surfaces (pages 537–546)

      Matthew P. Hodges, Elena Bichoutskaia, Akyl S. Tulegenov and Richard J. Wheatley

      Article first published online: 10 SEP 2003 | DOI: 10.1002/qua.10747

  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
    1. Wave packet calculations for the Cl + H2 reaction (pages 562–567)

      Dimitris Skouteris, Antonio Laganà, Gabriella Capecchi and Hans-Joachim Werner

      Article first published online: 12 SEP 2003 | DOI: 10.1002/qua.10757

    2. Reactivity and aromaticity of polyaromatics in radical cyclization reactions (pages 568–576)

      V. Van Speybroeck, K. Hemelsoet, M. Waroquier and G. B. Marin

      Article first published online: 12 SEP 2003 | DOI: 10.1002/qua.10758

  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

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