International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

August 1980

Volume 18, Issue 2

Pages fmi–fmii, 345–659

  1. Masthead

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. You have free access to this content
      Masthead (pages fmi–fmii)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180201

  2. Editorial

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. Editorial note (page 345)

      John R. Sabin

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180202

  3. Articles

    1. Top of page
    2. Masthead
    3. Editorial
    4. Articles
    1. INDO Studies on the structure of benzosemiquinone radicals (pages 357–363)

      Yoshiya Shinagawa, Yasuko Shinagawa, Nobuhiro Uyesaka and Kohji Fukuda

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180204

    2. Chemical graph theory: Modeling the thermodynamic properties of molecules (pages 369–380)

      O. Mekenyan, D. Bonchev and N. Trinajstić

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180206

    3. QCLDB—Quantum chemistry literature data base—a trial (pages 393–396)

      Y. Osamura, S. Yamabe, F. Hirota, H. Hosoya, S. Iwata, H. Kashiwagi, K. Morokuma, M. Togasi, S. Obara, K. Tanaka and K. Ohno

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180208

    4. Semiempirical molecular orbital calculations on π electron systems (pages 397–401)

      R. A. Thuraisingham and S. H. M. Nilar

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180209

    5. Metal bridge effect: V. Quantum chemical studies of some metal chelates (pages 409–419)

      I. Fischer-Hjalmars and A. Henriksson-Enflo

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180211

    6. Purine–water interactions in base stacking (pages 421–437)

      J. Langlet, C. Giessner-Prettre, B. Pullman, P. Claverie and D. Piazzola

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180212

    7. MO Study of flavin–protein interactions in flavodoxin catalysis (pages 449–456)

      Murray F. Teitell and J. Lawrence Fox

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180214

    8. MO Study of the photochemical behavior of the imine bond (pages 457–462)

      Yoshihiro Osamura, Shinichi Yamabe and Kichisuke Nishimoto

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180215

    9. MO Study on the photochemical isomerization of isoxazole (pages 463–468)

      H. Tanaka, T. Matsushita, Y. Osamura and K. Nishimoto

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180216

    10. Calculated optical spectrum of model oxyheme complex (pages 481–492)

      Gilda H. Loew, Zelek S. Herman and Michael C. Zerner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180218

    11. Mechanism of binding of iron to potential therapeutic chelating agents (pages 493–500)

      Neil E. Spingarn and Alan C. Sartorelli

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180219

    12. Hydrophile–hydrophobe equilibrium of some prostaglandins—CNDO/SW study (pages 501–508)

      S. Grigoras, I. Rusu, E. Pausescu, A. Medesan and S. Moldoveanu

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180220

    13. β-Decay effect on the proton movement in the pyridine–pyrrole hydrogen-bonded system (pages 515–519)

      Shigeru Ikuta, Shuichi Hashimoto and Masashi Imamura

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180222

    14. Application of lie algebra to ligand-field theory (pages 545–555)

      Tang Au-Chin, Sun Chia-Chung and Li Bei-Foo

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180227

    15. V-Coupling coefficients from SO(3) to the octahedral group (pages 557–573)

      Tang Au-Chin, Cho Ching-Yu and Sun Chia-Chung

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180228

    16. Binding energies of ionized donor–exciton complexes in polar crystals (pages 583–586)

      Piotr Petelenz and Vedene H. Smith JR.

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180230

    17. On the localization of defects (pages 607–613)

      Jean-Louis Calais

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180234

    18. Microscopic theory of the average band gap of semiconductors (pages 615–618)

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

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180235

    19. Rotational tunneling of methane on the surface of graphite (pages 641–644)

      Shuichi Nosé, Yoshiaki Ozaki, Kazuo Maki and Yosuke Kataoka

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180239

    20. Ab initio molecular orbital studies of polyethylene deformation (pages 651–654)

      A. L. Brower, J. R. Sabin, B. Crist and M. A. Ratner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180241

    21. Synchrotron radiation spectroscopy of quasi-one-dimensional materials (pages 655–659)

      T. Mitani, S. Suga, Y. Tokura, K. Koyama, I. Nakada and T. Koda

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560180242

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