• Issue

    International Journal of Quantum Chemistry: Volume 100, Issue 1

    1-66
    2004
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Additional Papers of the Proceedings of the 2002 Fock School on Quantum and Computational Chemistry

New aspects of electrophylic aromatic substitution mechanism: Computational model of nitration reaction †

Alexey V. Sokolov, 
  • Pages: 1-12
  • First Published: 23 June 2004

Calculation of states of an ion Fe3 in crystal FeBO3†

D. A. Filippov,  I. S. Nikiforov, 
  • Pages: 13-15
  • First Published: 15 July 2004

Theoretical and Computational Developments

Exact solutions for the position-dependent effective mass Schrödinger equation using the analogy with a PT-symmetric invariant anharmonic potential

S. K. Moayedi,  M. Solimannejad,  Abraham F. Jalbout, 
  • Pages: 16-19
  • First Published: 12 May 2004

Hohenberg–Kohn theory including spin magnetism and magnetic fields

Walter Kohn,  Andreas Savin,  Carsten A. Ullrich, 
  • Pages: 20-21
  • First Published: 15 July 2004

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

ONIOM study of one-carbon unit transfer from imidazolidine to dUMP analogue

C. S. Qi,  D. C. Feng,  Z. T. Cai, 
  • Pages: 22-27
  • First Published: 15 July 2004

Intermolecular interaction energies for deprotonated complexes

M. Masamura, 
  • Pages: 28-40
  • First Published: 21 July 2004

Spatial partitioning of the molecular wave function: Reexamination of the bond-charge model of covalent binding

James Camparo, 
  • Pages: 41-52
  • First Published: 19 July 2004

The electronic spectrum of linear HC9H+†

Max Mühlhäuser,  Jan Haubrich,  Sigrid D. Peyerimhoff, 
  • Pages: 53-58
  • First Published: 12 May 2004

Book Reviews

Book review

J. V. Ortiz, 
  • Page: 59
  • First Published: 15 July 2004

Book review

Sam Trickey, 
  • Pages: 60-61
  • First Published: 15 July 2004

Book review

S. Wilson, 
  • Pages: 62-66
  • First Published: 15 July 2004