International Journal of Quantum Chemistry

Cover image for International Journal of Quantum Chemistry

Supplement: Proceedings of the International Syposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods

14/21 March 1992

Volume 44, Issue S26

Pages fmi–fmi, ix–xxvii, 1–894

  1. Masthead

    1. Top of page
    2. Masthead
    3. Introduction
    4. List Of Participants
    5. Dedication
    6. Articles
    1. Masthead (page fmi)

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440801

  2. Introduction

    1. Top of page
    2. Masthead
    3. Introduction
    4. List Of Participants
    5. Dedication
    6. Articles
    1. You have free access to this content
      Introduction (pages ix–x)

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440802

  3. List Of Participants

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

    1. Top of page
    2. Masthead
    3. Introduction
    4. List Of Participants
    5. Dedication
    6. Articles
    1. You have free access to this content
      Memorial session in honor of Arnold Karo (page xxvii)

      H. Harvey Michels

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440804

  5. Articles

    1. Top of page
    2. Masthead
    3. Introduction
    4. List Of Participants
    5. Dedication
    6. Articles
    1. Second-order Green's function simulations of the valence XPS spectra of unsaturated hydrocarbons (pages 31–53)

      M. Deleuze, P. Horeczky, J. Delhalle and B. T. Pickup

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440807

    2. Coupled cluster approach to the single-particle Green's function (pages 55–83)

      Marcel Nooijen and Jaap G. Snijders

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440808

    3. Coupled-cluster method for an incomplete model space (pages 107–115)

      Stanislaw A. Kucharski and Rodney J. Bartlett

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440810

    4. Energy levels for a quartic oscillator using algebraic techniques (pages 153–160)

      José Récamier A. and Rocío Jáuregui R.

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440814

    5. Alternative approach to the factorization method (pages 171–179)

      J. Morales, G. Arreaga, J. J. Peñta and J. López-bonilla

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440816

    6. Some comments on the electrostatic potential of a molecule (pages 181–205)

      Everett G. Larson, Mingsheng Li and Guy C. Larson

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440817

    7. Complex regional virial relations in molecules (pages 207–211)

      M. García-sucre

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440818

    8. Calculating atomic and molecular properties using Variational Monte Carlo methods (pages 213–227)

      S. A. Alexander, R. L. Coldwell, Gerrard Aissing and Art J. Thakkar

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440819

    9. Restricted basis functions for Hmath image with use of overlap integrals of Slater-type orbitals (pages 265–270)

      Herbert W. Jones, Babak Etemadi and Franklin B. Brown

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440823

    10. Basis set quantum chemistry and quantum Monte Carlo: Selected atomic and molecular results (pages 271–290)

      M. Urban, Rodney J. Bartlett and S. A. Alexander

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440824

    11. Analytic approximations to the momentum moments of neutral atoms (pages 291–298)

      Ajit J. Thakkar and Toshikatsu Koga

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440825

    12. Reliable Hellmann–Feynman forces for nuclei-centered GTO basis of standard size (pages 311–318)

      Reinaldo O. Vianna, Rogério Custódio, Hélio Chacham and José Rachid Mohallem

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440827

    13. An investigation of the performance of a hybrid of Hartree-Fock and density functional theory (pages 319–331)

      Peter M. W. Gill, Benny G. Johnson, John A. Pople and Michael J. Frisch

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440828

    14. The gradient expansion approximation for exchange: A physical prespective (pages 333–345)

      Marlina Slamet and Viraht Sahni

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440829

    15. Nonlocal exchange and kinetic-energy density functionals for electronic systems (pages 347–358)

      M. D. Glossman, A. Rubio, L. C. Balbás and J. A. Alonso

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440830

    16. Quintet electronic states of MoO: Gaussian density functional calculations (pages 393–399)

      Ewa Broclawik and Dennis R. Salahub

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440834

    17. On the intercorrelation of topological indices in benzenoid hydrocarbons (pages 401–408)

      D. Horvat, A. Graovac, D. Plavšić, N. Trinajstić and M. Strunje

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440835

    18. Multiphoton absorption in anharmonic systems (pages 435–441)

      J. Broeckhove, B. Feyen and P. Van Leuven

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440839

    19. The photoelectron spectra of methyl pseudohalides (pages 443–453)

      T. Pasinszki, T. Veszprèmi, M. Fehèr, B. Kovac̀, L. Klasinc and S. P. Mcglynn

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440840

    20. Study of the diffuse spectral series of boron-like atomic systems (pages 455–464)

      C. Lavín, I. Martin and M. J. Vallejo

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440841

    21. Fine-structure oscillator strengths for excited-state transitions in Cu-like ions (pages 465–474)

      I. Martin, C. Lavín and C. Barrientos

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440842

    22. Ab-initioSCF investigation of glycolic acid (pages 505–515)

      Michaela Flock and Michael Ramek

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440846

    23. SC-MEH-CI calculations on the (NH4) 4CuCl6 (D2h) cluster in (NH4)2CuCl4 (pages 543–550)

      E. A. Boudreaux, E. Baxter and K. Chin

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440849

    24. Attempts to calculate the electron affinity of acrylonitrile (pages 563–573)

      M. Maloteau, D. H. Mosley, J. M. Andre, J. Delhalle and B. T. Pickup

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440851

    25. Electronic and magnetic properties of organometallic clusters: From the molecular to the metallic state (pages 605–619)

      Lutz Ackermann, Notker Rösch, Brett I. Dunlap and Gianfranco Pacchioni

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440854

    26. Orientational ordering of adsorbed monolayers (pages 621–632)

      E. E. Mola, J. L. Vicente and L. Blum

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440855

    27. Electronic and structural properties of N and N2 in type-IV semiconductors (pages 667–672)

      A. Fazzio, C. R. Martins Da Cunha and S. Canuto

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440859

    28. Ab initioSCF calculations on Mn-related defects in CaF2 (pages 673–686)

      A. C. Lewandowski and T. M. Wilson

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440860

    29. Introduction of external field effects in the frontier molecular orbital theory of chemical reactivity (pages 751–760)

      Fernando Mendizabal, Renato R. Contreras and Arie J. Aizman

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440866

    30. A fibered space approach to chemical reaction mechanisms (pages 761–771)

      Gloria E. Moyano and José L. Villaveces

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440867

    31. Theoretical study of the interaction of Ga. Ga+, and Ga2+ with the hydrogen molecule (pages 781–791)

      J. M. Martínez-Magadán, A. Ramírez-Solís and O. Novaro

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440869

    32. The activation and elimination of H2 by Zr complexes (pages 793–806)

      Thomas R. Cundari

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440870

    33. Solvation effect on the tunneling rates of proton transfer (pages 807–815)

      J. L. Esquivel, D. Balmaceda and J. F. Mata-Segreda

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440871

    34. Towards a first-principles implementation of density-functional theory at a metal surface (pages 837–852)

      A. G. Eguiluz, J. J. Deisz, M. Heinrichsmeier, A. Fleszar and W. Hanke

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440873

    35. Neural network studies. 4. An extended study of the aqueous solubility of organic compounds (pages 853–867)

      Nicholas Bodor, Ming-Ju Huang and Alan Harget

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440874

    36. On the stability of H in plasmas (pages 869–877)

      Zhengming Wang, Yong Yan, Hongbin Zhan, John C. Morrison and Peter Winkler

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440875

    37. The ACES II program system (pages 879–894)

      John F. Stanton, Jürgen Gauss, John D. Watts, Walter J. Lauderdale and Rodney J. Bartlett

      Article first published online: 19 OCT 2004 | DOI: 10.1002/qua.560440876

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