International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceeding of the International Symposium on Quantum Chemistry Solid-State Physics, and Computational Methods

1991

Volume 40, Issue S25

Pages fmi–fmi, ix–xxxviii, 1–702

  1. Masthead

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
    1. Masthead (page fmi)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400801

  2. Editorial

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
  3. Introduction

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
    1. You have free access to this content
      Introduction (page xi)

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400803

  4. List of Participants

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
    1. You have free access to this content
  5. Miscellaneous

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
    1. You have free access to this content
  6. Articles

    1. Top of page
    2. Masthead
    3. Editorial
    4. Introduction
    5. List of Participants
    6. Miscellaneous
    7. Articles
    1. Molecular structure and function (pages 1–8)

      William N. Lipscomb

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400806

    2. Maximum similarity orbitals for analysis of the electronic excited states (pages 81–93)

      Jerzy Cioslowski and Matt Challacombe

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400811

    3. Kinetic balance in contracted basis sets for relativistic calculations (pages 131–139)

      L. Visscher, P. J. C. Aerts, O. Visser and W. C. Nieuwpoort

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400816

    4. Sensitivity of time-dependent vibrational dynamics to curve-crossing topology (pages 141–153)

      J. Broeckhove, B. Feyen and L. Lathouwers

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400817

    5. Calculation of molecular geometries and energies by a local density functional approach (pages 249–259)

      Jorge M. Seminario, Monica C. Concha and Peter Politzer

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400825

    6. Ion solvation energies from density functional theory (pages 281–288)

      Renato R. Contreras and Arie J. Aizman

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400828

    7. Density-functional theory of the superconducting state (pages 289–297)

      E. K. U. Gross and Stefan Kurth

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400829

    8. Nonadiabatic molecular dynamics (pages 299–309)

      John C. Tully

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400830

    9. Electrophilic substitution in the benzofuran series: A theoretical (AM1) study (pages 325–333)

      Emil Pop, Ming-Ju Huang, Simion Matei, Marcus E. Brewster and Nicholas Bordor

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400832

    10. Shape analysis along reaction paths of ring opening reactions (pages 335–345)

      Xincai Luo, Gustavo A. Arteca and Paul G. Mezey

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400833

    11. Intermolecular dynamics for weakly bound donor–acceptor complexes (pages 347–358)

      Luke C. Emery and W. Daniel Edwards

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400834

    12. On molecules and ions in strong magnetic fields (pages 371–385)

      P. Schmelcher and L. S. Cederbaum

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400836

    13. Single-active electron calculation of multiphoton process in krypton (pages 415–429)

      Kenneth C. Kulander, Kenneth J. Schafer and Jefferey L. Krause

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400839

    14. Photoelectron spectra of halogenofurans (pages 479–487)

      L. Nyulaszi, T. Veszpremi, J. Reffy, G. Zsombok, T. Cvitaš, B. Kovač, L. Klasinc and S. P. Mcglynn

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400844

    15. Preliminary theoretical study of acrylonitrile and its methyl derivatives as monomers for cathodic electropolymerization (pages 507–526)

      G. Hennico, J. Delhalle, E. Younang, M. Defranceschi, G. Lecayon and C. Boiziau

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400846

    16. Calculations on the electronic structure and spectroscopy of C60 and C70 cage structures (pages 557–568)

      Rajiv D. Bendale, John David Baker and Michael C. Zerner

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400849

    17. Theoretical study on Al multiple substitutions in the MFI zeolite (pages 659–669)

      J. Morales, M. Bonilla-Marín and A. Langagne

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400858

    18. Nonadiabatic calculations for tdμ relevant for muon catalyzed fusion (pages 671–686)

      Krzysztof Szalewics and Bogumil Jeziorski

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400859

    19. Computation of scanning tunneling microscope images (pages 687–702)

      I. Derycke, J. P. Vigneron, Ph. Lambin, Th. Laloyaux and A. A. Lucas

      Version of Record online: 19 OCT 2004 | DOI: 10.1002/qua.560400860

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