International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

July 1980

Volume 18, Issue 1

Pages fmi–fmii, 1–341

  1. Masthead

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

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180101

  2. Preface

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

      Per-Olov Löwdin

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180102

  3. Articles

    1. Top of page
    2. Masthead
    3. Preface
    4. Articles
    1. Toward a microscopic description of molecular electronic systems (pages 11–18)

      Renato Pucci, Marcello Baldo, Antonio Grassi and Pasquale Tomasello

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180104

    2. Model potential Xα method for the electronic structure calculations (pages 25–29)

      Shinichi Katsuki and Hiroshi Taketa

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180106

    3. Perturbation and SCF calculations for excited states (pages 43–48)

      Tse-Chiang Chang

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180109

    4. Perturbation calculation of transition moments in the ArH+ system (pages 49–55)

      G. Chambaud, B. Levy and Ph. Millié

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180110

    5. Conservation of intrinsic dual and single symmetries of molecular orbitals (pages 57–63)

      Tang Au-Chin and Sun Chia-Chung

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180111

    6. Formulation of the LCAS MS SCF method within the Gaussian basis set (pages 65–71)

      Szczepan Roszak and Henryk Chojnacki

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180112

    7. Ab initio molecular orbital study of the hydrogen-bonded pyrrole ⃛acetonitrile complex (pages 89–99)

      Henri Lumbroso and Giuseppe Concetto Pappalardo

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180115

    8. Ab initio studies of 1,3-sigmatropic rearrangements: Effect of basis set and electron correlation (pages 107–116)

      William R. Rodwell, Willem J. Bouma and Leo Radom

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180117

    9. “Ring currents” static hypersusceptibilities (pages 117–124)

      J. Gayoso, B. Maouche, O. Ouamerali and A. Baba-Ahmed

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180118

    10. Spin–orbit coupling for the motion of a particle in a ring-shaped potential (pages 125–141)

      Hermann Hartmann and Dieter Schuch

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180119

    11. Ab initioLCAO MO SCF calculation of potential surface of the NO2 molecule (pages 151–156)

      Keiko Morita, Hiroshi Sato and Eiichi Ishiguro

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180121

    12. Basis set superposition effect on difference electrostatic molecular potential contour maps (pages 165–171)

      W. A. Sokalski, P. C. Hariharan, Joyce J. Kaufman and Carlo Petrongolo

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180123

    13. Novel sign-alternation rule for the triplet state in aromatic systems (pages 185–188)

      Yasuhiko Gondo and Yoshiya Kanda

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180125

    14. Explanation of the artifact structure predictions within the semiempirical ZDO SCF supermolecular approach (pages 189–191)

      W. A. Sokalski, P. C. Hariharan, Herbert E. Popkie and Joyce J. Kaufman

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180126

    15. CNDO-MO calculation of NnFm molecules (pages 199–204)

      Cheng Chen

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180128

    16. Parametrization of the equations-of-motion method for conjugated hydrocarbons (pages 205–209)

      Tai-Ichi Shibuya and Tadashi Funada

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180129

    17. Theory of the Bose particle representation for geminals (pages 211–217)

      Sadao Okido and Osamu Tanimoto

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180130

    18. ESCA peak intensities for small molecules in the sudden approximation (pages 237–241)

      A. Palma, E. González and O. Goscinski

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180133

    19. Theoretical study of photochemical reactions: Electron assignment and the state correlation diagram (pages 243–250)

      Shinichi Yamabe, Tsutomu Minato and Yoshihiro Osamura

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180134

    20. Photoionization cross section calculated by dynamical theory (pages 251–256)

      Takashi Fujikawa and Haruo Kuroda

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180135

    21. Binding energies at different momenta for the valence orbitals of HCl by the binary (e, 2e) method (pages 275–280)

      I. H. Suzuki, C. E. Brion, E. Weigold and G. R. J. Williams

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180138

    22. Electron distribution in water by high-energy electron scattering (pages 281–285)

      S. Shibata, F. Hirota, N. Kakuta and T. Muramatsu

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180139

    23. Field correlation effects on the resonant light scattering (pages 293–300)

      H. Kôno, Y. Fujimura and T. Nakajima

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180141

    24. Vibrational spectra of molecules in the Hartree–Fock dielectric screening approach (pages 311–315)

      P. E. Van Camp, V. E. Van Doren and J. T. Devreese

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180144

    25. Moment expansion method to calculate vibrational frequencies of molecules and solids (pages 317–321)

      J. T. Devreese, P. E. Van Camp and V. E. Van Doren

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180145

    26. Normal-mode vibrational frequencies and thermodynamic properties of uracil and 4-hydroxyuracil (pages 323–329)

      Masayuki Shibata, Theresa Julia Zielinski and Robert Rein

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180146

    27. Method for computing the characteristic polynomial (pages 339–341)

      Ivailo M. Mladenov, Marin D. Kotarov and Julia G. Vassileva-Popova

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560180148

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