• Issue

    International Journal of Quantum Chemistry: Volume 92, Issue 4

    345-411
    2003
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Theoretical and Computational Developments

Coupled harmonic oscillator systems: Improved algebraic decoupling approach

B. L. Burrows,  M. Cohen,  Tova Feldmann, 
  • Pages: 345-354
  • First Published: 28 February 2003

Properties, Dynamics, and Electronic Structure of Atoms and Molecules

Pure through-bond state in organic molecules for analysis of the relationship between intramolecular interactions and total energy

Yuuichi Orimoto,  Yuriko Aoki, 
  • Pages: 355-366
  • First Published: 28 February 2003

Dipole-bound anions supported by charge–transfer interaction: Anionic states of HnF3−nN → BH3 and H3N → BHnF3−n (n = 0, 1, 2, 3)

Agnieszka Sawicka,  Iwona Anusiewicz,  Piotr Skurski,  Jack Simons, 
  • Pages: 367-375
  • First Published: 28 February 2003

Theoretical study of the low-lying electronic states of the molecular ion KRb+

M. Korek,  G. Younes,  A. R. Allouche, 
  • Pages: 376-380
  • First Published: 28 February 2003

Application of the electron localization function to radical systems

Junia Melin,  P. Fuentealba, 
  • Pages: 381-390
  • First Published: 28 February 2003

Heterolytic activation of CH bond in methane with (HNCHCHNH)M(CH3) (M = Pd+, Pt+, Rh+, Ir+, Rh, Ir): Comparative density functional study of activation mechanisms

Hanne Heiberg,  Odd Gropen,  Ole Swang, 
  • Pages: 391-399
  • First Published: 28 February 2003

Properties, Dynamics, and Electronic Structure of Condensed Systems and Clusters

Theoretical study on the adsorption of aromatic compounds on platinum clusters

P. R. N. De Souza,  D. A. G. Aranda,  J. W. De M. Carneiro,  C. Da S. B. De Oliveira,  O. A. C. Antunes,  F. B. Passos, 
  • Pages: 400-411
  • First Published: 28 February 2003