• Issue

    International Journal of Quantum Chemistry: Volume 31, Issue 6

    fmi-fmii, 847-991
    June 1987
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Masthead

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Masthead

  • Pages: fmi-fmii
  • First Published: June 1987

Articles

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The peri effect in aromatic hydrocarbon carcinogenesis: An empirical force field examination

Paul G. Seybold,  Kenny B. Lipkowitz, 
  • Pages: 847-853
  • First Published: June 1987
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Spectroscopic studies on some phenylethylamine drugs: Molecular orbital calculations

R. H. Abu-Eittah,  M. M. Hamed,  M. M. Abdou, 
  • Pages: 855-869
  • First Published: June 1987
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The extended Koopmans' theorem Fock operator†

J. Mauricio O. Matos,  Orville W. Day, 
  • Pages: 871-892
  • First Published: June 1987
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A mixed basis set of Slater and Gaussian functions. Integrals with modified Gaussian functions

Renato Colle,  Alessandro Fortunelli,  Oriano Salvetti, 
  • Pages: 893-901
  • First Published: June 1987
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Approximate solutions of Heisenberg Hamiltonians

J. Sanchez-Marin,  J. P. Malrieu,  D. Maynau, 
  • Pages: 903-925
  • First Published: June 1987
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Molecular electrostatic fields from bond fragments

Péter Nagy,  János G. Ángyán,  Gábor Náray-Szabó,  Gustav Peinel, 
  • Pages: 927-939
  • First Published: June 1987
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Inclusion of relativistic effects into ZDO methods. I. A quasi-relativistic CNDO/1

Roman Boča, 
  • Pages: 941-950
  • First Published: June 1987
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Electron correlation described by extended geminal models: The EXGEM4 and EXGEM5 models

I. Røeggen, 
  • Pages: 951-974
  • First Published: June 1987
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Core projection effects in atomic frozen-core calculations: A numerical analysis

V. Luaña,  L. Pueyo, 
  • Pages: 975-988
  • First Published: June 1987

Book Review

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Chemical applications of ultrafast spectroscopy. By Graham R. Fleming, Oxford, New york, 1986.

M. A. Ratner, 
  • Page: 989
  • First Published: June 1987

Erratum

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Butadiene and benzene π-electron SCF ground states in the bond orbital resonance theory approach

Tomislav P. Živković, 
  • Page: 991
  • First Published: June 1987