International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

5 November 1994

Volume 52, Issue 4

Pages fmi–fmii, 693–1119

  1. Masthead

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. Masthead (pages fmi–fmii)

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520401

  2. Introduction

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. You have free access to this content
      Introduction to the 1993 como meeting (pages 693–694)

      P. Fantucci and N. Russo

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520402

  3. Articles

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. An analysis of the integrand occurring in correlation energy functionals (pages 705–710)

      Alessandro Fortunelli and Oriano Salvetti

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520404

    2. An analysis of nonlocal density functionals in chemical bonding (pages 711–730)

      Robert Van Leeuwen and Evert Jan Baerends

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520405

    3. A mass formula for the energy of metal clusters (pages 767–797)

      A. Mañanes, M. Membrado, A. F. Pacheco, J. Sañudo and L. C. Balbás

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520407

    4. Direct minimization of the energy in density functional theory (pages 817–827)

      Piercarlo Fantucci and Stefano Polezzo

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520410

    5. Coulomb-Hole–Hartree–Fock functional (pages 849–865)

      E. Clementi and D. W. M. Hofmann

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520413

    6. The effects of nonlocal gradient corrections in density functional calculations of hydrocarbon radical hyperfine structures (pages 879–901)

      Leif A. Eriksson, Vladimir G. Malkin, Olga L. Malkina and Dennis R. Salahub

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520415

    7. Ground-state properties of CdxSn1–xTe: The role of d-electrons (pages 919–926)

      G. H. Grosch, B. Freytag, K.-J. Range and U. Rössler

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520417

    8. Application of second-order density functional methods to the calculation of the LiFH potential energy surface (pages 935–945)

      Cristina Suárez, Alfredo Aguado, César Tablero and Miguel Paniagua

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520419

    9. Symmetry breaking and its influence on the correlation energy for CFmath image and CFmath image ions (pages 947–956)

      J. M. Garcia de la vega and E. San fabian

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520420

    10. Ionization potentials of atoms calculated with a nonlocal exchange and a local correlation functional (pages 993–1010)

      N. A. Cordero, O. V. Gritsenko, A. Rubio, L. C. BalbáS and J. A. Alonso

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520425

    11. Density functional treatment of water–carbon dioxide van der waals complex (pages 1011–1015)

      Yuri Abashkin, Franca Mele, Nino Russo and Marirosa Toscano

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520426

    12. Applicability to atoms of a large set of correlation energy functinals (pages 1027–1038)

      E. San fabián, F. Moscardó and J. M. Pérez-jordá

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520428

    13. A density functional study of pseudotetrahedral metal–nitrosyl complexes (pages 1039–1049)

      F. Bohr, H. Chermette and M. F. Ruiz-lópez

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520429

    14. The chemisorption of hydrogen on Cu(111): A dynamical study (pages 1067–1080)

      A. Forni, G. Wiesenekker, E. J. Baerends and G. F. Tantardini

      Version of Record online: 21 SEP 2004 | DOI: 10.1002/qua.560520431

SEARCH

SEARCH BY CITATION