International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

15 December 1995

Volume 56, Issue 6

Pages fmi–XI, 655–873

  1. Masthead

    1. Top of page
    2. Masthead
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems
    5. List of Participants
    6. Announcement
    1. Masthead (page fmi)

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560601

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

    1. Top of page
    2. Masthead
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems
    5. List of Participants
    6. Announcement
    1. A DFT study of the ground state of the N3 radical (pages 655–661)

      Romauld B. Słupski and Jan Wasilewski

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560602

    2. Spectroscopic constants of SiH2, GeH2, SnH2, and their cations and anions from density functional computations (pages 669–675)

      Tzonka Mineva, Nino Russo, Emilia Sicilia and Marirosa Toscano

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560604

    3. Density functional calculation of quinone electrode potentials (pages 677–687)

      Christopher A. Reynolds

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560605

    4. Density functional study of the intershell interaction energy in carbon onions (pages 689–696)

      R. Pis Diez and M. P. Iñtiguez

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560606

    5. Proton transfer in small model systems: A density functional study (pages 697–705)

      Vincenzo Barone, Laura Orlandini and Carlo Adamo

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560607

    6. A density functional study of chemical reactions (pages 733–746)

      Jan Andzelm, Jon Baker, Andrew Scheiner and Michael Wrinn

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560609

    7. Maximum-entropy analysis of atomic compton profiles (pages 747–752)

      J. C. Angulo, R. J. Yáñez, J. Antolín and A. Zarzo

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560610

    8. Applications of some bounds to density functionals for atoms (pages 763–769)

      I. Porras and F. J. Gálvez

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560612

    9. Density functional calculations of structures and ionization energies for heavy group V cluster anions (pages 771–777)

      R. Kaschner, U. Saalmann, G. Seifert and M. Gausa

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560613

  3. Properties, Dynamics, and Electronic Structure of Condensed Systems

    1. Top of page
    2. Masthead
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems
    5. List of Participants
    6. Announcement
    1. Full ab initio calculation of second-order Raman spectra of semiconductors (pages 787–790)

      W. Windl, K. Karch, P. Pavone, O. Schütt and D. Strauch

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560615

    2. Antiferromagnetic ordering in a two-dimensional electron liquid (pages 791–799)

      Herwig K. Schweng and Helga M. Böhm

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560616

    3. Ab initio calculation of structural, lattice dynamical, and thermal properties of cubic silicon carbide (pages 801–817)

      K. Karch, P. Pavone, W. Windl, D. Strauch and F. Bechstedt

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560617

    4. A model for the charge capacity of 1T–TiS2 intercalated with Li (pages 819–823)

      Fernando Mendizabal, Renato Contreras and Arie Aizman

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560618

    5. Ground-state energies of atomic chains in superstrong magnetic fields (pages 825–830)

      B. M. Relovsky and H. Ruder

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560619

    6. Direct calculations of charge densities of solids: Applications to the alkali-earth sulfides (pages 831–837)

      P. Cortona, A. Villafiorita Monteleone and P. Becker

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560620

    7. Density functional theory of the collective electronic excitations in NanKn clusters (pages 839–846)

      A. Bol, J. A. Alonso and J. M. López

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560621

    8. Nonlocal density functional calculations of the jellium metal surface (pages 847–860)

      C. Jȩdrzejek, A. Wyżliński and J. Gryko

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560622

  4. List of Participants

    1. Top of page
    2. Masthead
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems
    5. List of Participants
    6. Announcement
    1. You have free access to this content
      List of participants (pages 861–873)

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560623

  5. Announcement

    1. Top of page
    2. Masthead
    3. Properties, Dynamics, and Electronic Structure of Atoms and Molecules
    4. Properties, Dynamics, and Electronic Structure of Condensed Systems
    5. List of Participants
    6. Announcement
    1. You have free access to this content
      Announcement (page XI)

      Robert G. Parr

      Article first published online: 21 SEP 2004 | DOI: 10.1002/qua.560560624

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