International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

April 1983

Volume 23, Issue 4

Pages fmi–fmii, ix–xi, 1121–1693

  1. Masthead

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

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230401

  2. Articles

    1. Top of page
    2. Masthead
    3. Articles
    4. Editorial
    5. Articles
    1. Introduction (pages ix–x)

      Inga Fischer-Hjalmars

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230402

  3. Editorial

    1. Top of page
    2. Masthead
    3. Articles
    4. Editorial
    5. Articles
    1. Editorial comments (page xi)

      Per-Olov Löwdin;, John R. Sabin and Michael Zerner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230403

  4. Articles

    1. Top of page
    2. Masthead
    3. Articles
    4. Editorial
    5. Articles
    1. Conformational and MO studies of hydroxy-2-aminotetralins (pages 1121–1133)

      D. Kocjan, T. Šolmajer, M. Hodošček and Professor D. Hadži

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230404

    2. Integral evaluation algorithms and their implementation (pages 1135–1153)

      Dermot Hegarty and G. Van Der Velde

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230405

    3. Clustered hydrogenic centers in impure semiconductors (pages 1155–1163)

      K. A. Chao and K.-F. Berggren

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230406

    4. Electron correlation in linear hydrogen chains (pages 1179–1189)

      J. G. Fripiat, J. Dehalle and J. M. André

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230408

    5. Electronic structure of small copper clusters (pages 1201–1207)

      Eisaku Miyoshi, Hiroshi Tatewaki and Takashi Nakamura

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230410

    6. Energy-band structure and charge distribution for BaC6 (pages 1223–1230)

      N. A. W. Holzwarth, D. P. Divincenzo, R. C. Tatar and S. Rabii

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230412

    7. Cluster calculations of the H2O/Pt(111) system (pages 1231–1238)

      J. Paul and A. Rosén

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230413

    8. Electrostatics and gating of excitable membranes (pages 1269–1282)

      Ingemar Lundström and Claes Nylander

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230416

    9. Comparison of theoretical and thermodynamic values of interconstituent interactions in DNA (pages 1283–1293)

      Masayuki Shibata, Thomas Kieber-Emmons and Robert Rein

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230417

    10. INDO Studies on the electronic structure of lanthanoid compounds (pages 1305–1316)

      Li Le-min, Ren Jing-Qing, Xu Guang-Xian (K. H. Hsu) and Wang Xiu-Zhen

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230419

    11. Generator coordinate treatment of some model periodic systems (pages 1355–1361)

      L. R. Kauder, A. K. Ray and S. B. Trickey

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230421

    12. Interacting stereo-irregular chains: A model for conducting polymers (pages 1363–1383)

      S. Stafström, R. Riklund and K. A. Chao

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230422

    13. Electronic structure of model chlorophyll systems (pages 1407–1432)

      W. Daniel Edwards and Michael C. Zerner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230424

    14. Molecular electrotatic potential of a triple stranded helix: Poly(dT)·poly(dA)·poly(dT) (pages 1451–1461)

      Sylvie Corbin, Richard Lavery and Bernard Pullman

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230427

    15. Random-walk theory for localization (pages 1463–1468)

      Meena Chaturvedi and Vipin Srivastava

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230428

    16. Evaluation of GTO molecular integrals (pages 1469–1478)

      Frank E. Harris

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230429

    17. Cluster Xα approach to magnetic interactions and phase transitions in solids (pages 1517–1528)

      V. A. Gubanov, A. I. Liechtenstein and A. V. Postnikov

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230433

    18. Quantum chemical study of the molecular patterns of MAO inhibitors and substrates (pages 1627–1641)

      M. Martin, F. Sanz, M. Campillo, L. Pardo, J. Pérez and J. Turmo

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230444

    19. Quantum chemical structure–activity relationships on β-carbolines as natural monoamine oxidase inhibitors (pages 1643–1652)

      M. Martin, F. Sanz, M. Campillo, L. Pardo, J. Perez, J. Turmo and J. M. Aulló

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230445

    20. One-electron properties at the SCFab Initio level (page 1677)

      G. De Brouckére

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230448

    21. Topological determinants in organic chemistry (page 1683)

      Paul G. Seybold

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230450

    22. Large-scale RPA calculations of chiroptical properties of organic molecules: Program RPAC (page 1693)

      Thomas D. Bouman, Aage E. Hansen, Bjørn Voigt and Sten Rettrup

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560230453

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