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

      Version of Record 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. Magnetically quantized continuum distorted-wave theory in atomic and molecular collisions (pages 569–576)

      S. F. C. O'Rourke, D. M. McSherry and D. S. F. Crothers

      Version of Record online: 9 MAR 2004 | DOI: 10.1002/qua.10867

    2. 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

      Version of Record online: 22 JAN 2004 | DOI: 10.1002/qua.10857

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

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

      Version of Record 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. Computations of the catalytic effects in the stone–wales fullerene isomerizations: N and CN agents (pages 634–639)

      Zdenĕk Slanina, Filip Uhlík, Ludwik Adamowicz and Shyi-Long Lee

      Version of Record online: 9 FEB 2004 | DOI: 10.1002/qua.20030

    2. Computing enthalpy–entropy interplay for isomeric fullerenes (pages 640–653)

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

      Version of Record online: 1 JUN 2004 | DOI: 10.1002/qua.20054

    3. Tight-binding parameterization of transition and noble metal clusters (pages 654–666)

      Alessandro Fortunelli and Ana Marìa Velasco

      Version of Record online: 29 JAN 2004 | DOI: 10.1002/qua.10850

    4. 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

      Version of Record 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

      Version of Record online: 18 MAY 2004 | DOI: 10.1002/qua.20044

    2. Effect of static electric field on the HF band structure of a guanine stack (pages 833–840)

      A. Martinez, F. Bogar, P. Otto and J. Ladik

      Version of Record online: 17 DEC 2003 | DOI: 10.1002/qua.10839

    3. Theoretical study of hydrogenation of thiouracils and their base pairs with adenine (pages 841–853)

      Leif A. Eriksson, Eugene S. Kryachko and Minh T. Nguyen

      Version of Record online: 29 JAN 2004 | DOI: 10.1002/qua.10856

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