International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Special Issue: Fourth Congress of the International Society for Theoretical Chemical Physics (ICTCP-IV) Part II of II

2004

Volume 99, Issue 5

Pages 567–875

Issue edited by: Jean Maruani, Roland Lefebvre, Erkki Brändas

    1. You have free access to this content
      Preface (pages 567–568)

      Jean Maruani, Roland Lefebvre and Erkki Brandas

      Article first published online: 1 JUL 2004 | DOI: 10.1002/qua.20229

  1. Part III. Atomic and Molecular Interactions, Collisions and Reactions

    1. Top of page
    2. Part III. Atomic and Molecular Interactions, Collisions and Reactions
    3. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    6. Part V. Molecular Materials and Molecular Biology
    1. Rotational and alignment effects in a wave packet calculation for the Cl + H2 reaction (pages 577–584)

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

      Article first published online: 22 JAN 2004 | DOI: 10.1002/qua.10857

    2. Double-electron capture processes in charge transfer reactions (pages 628–633)

      Y. S. Tergiman and M. C. Bacchus-Montabonel

      Article first published online: 17 DEC 2003 | DOI: 10.1002/qua.10843

  2. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces

    1. Top of page
    2. Part III. Atomic and Molecular Interactions, Collisions and Reactions
    3. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    6. Part V. Molecular Materials and Molecular Biology
    1. Computing enthalpy–entropy interplay for isomeric fullerenes (pages 640–653)

      Z. Slanina, X. Zhao, F. Uhlík, S.-L. Lee and L. Adamowicz

      Article first published online: 1 JUN 2004 | DOI: 10.1002/qua.20054

    2. Hybrid QM/MM embedding approach for the treatment of localized surface states in ionic materials (pages 695–712)

      Alexey A. Sokol, Stefan T. Bromley, Samuel A. French, C. Richard A. Catlow and Paul Sherwood

      Article first published online: 25 FEB 2004 | DOI: 10.1002/qua.20032

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

    1. Top of page
    2. Part III. Atomic and Molecular Interactions, Collisions and Reactions
    3. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    6. Part V. Molecular Materials and Molecular Biology
  4. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces

    1. Top of page
    2. Part III. Atomic and Molecular Interactions, Collisions and Reactions
    3. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    6. Part V. Molecular Materials and Molecular Biology
  5. Part V. Molecular Materials and Molecular Biology

    1. Top of page
    2. Part III. Atomic and Molecular Interactions, Collisions and Reactions
    3. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    4. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    5. Part IV. Atomic and Molecular Complexes and Clusters—Surfaces and Interfaces
    6. Part V. Molecular Materials and Molecular Biology
    1. Density functional theory for superconductors (pages 790–797)

      N. N. Lathiotakis, M. A. L. Marques, M. Lüders, L. Fast and E. K. U. Gross

      Article first published online: 18 MAY 2004 | DOI: 10.1002/qua.20044

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