International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

January 1987

Volume 31, Issue 1

Pages fmi–fmii, 1–184

  1. Masthead

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

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310101

  2. Introduction

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. You have free access to this content
      Introduction (page 1)

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310102

  3. Articles

    1. Top of page
    2. Masthead
    3. Introduction
    4. Articles
    1. Discrete spatial symmetries in energy derivatives (pages 3–16)

      Ajit Banerjee and James O. Jensen

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310103

    2. Reaction rates for O + HD [RIGHTWARDS ARROW] OH + D and O + HD [RIGHTWARDS ARROW] OD + H (pages 17–31)

      Bruce C. Garrett and Donald G. Truhlar

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310104

    3. Analysis of the IGLO bond contributions to the 13C shielding tensors in the local bond frame (pages 45–55)

      Julio C. Facelli, David M. Grant and Josef Michl

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310106

    4. The formation of highly excited Hmath image in the reaction H2+(v) + H2 [RIGHTWARDS ARROW] Hmath image + H (pages 57–63)

      George C. Schatz, Jay K. Badenhoop and Charles W. Eaker

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310107

    5. Reactive scattering in hyperspherical coordinates (pages 65–71)

      Jan Linderberg and Behnam Vessal

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310108

    6. Symmetry effects in the electronic spectrum of ammonia at low temperature (pages 73–80)

      P. C. Engelking and V. Vaida

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310109

    7. Correlation balance in basis sets for electronic structure calculations (pages 81–90)

      Mark S. Gordon and Donald G. Truhlar

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310110

    8. On the quenching of Li(2p) by HCl: Nonadiabatic effects (pages 91–97)

      David R. Yarkony

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310111

    9. Free energy and dispersion forces via response functions (pages 113–117)

      Ceferino H. Obcemea

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310113

    10. MBPT and coupled cluster calculation on the neon atom with numerical orbitals (pages 173–177)

      Ludwik Adamowicz and Rodney J. Bartlett

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560310117

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