1. On the applicability of CNDO indices for the prediction of chemical reactivity

   • Richard E. Brown
   • Alfredo Mayall Simas

   Original Investigations Pages: 1 - 16

2. The calculation of molecular electrostatic potential from a multipole expansion based on localized orbitals and developed at their centroids: Accuracy and applicability for macromolecular computations

   • Catherine Etchebest
   • Richard Lavery
   • Alberte Pullman

   Original Investigations Pages: 17 - 28

3. Quantum calculation of the intrinsic torsional barrier of C-C and C-O bonds

   • Camillo Tosi
   • Rolf Hilgenfeld

   Original Investigations Pages: 29 - 38

4. Diatomic interactions in momentum space. The effect of polarization and floating functions

   • Toshikatsu Koga
   • Kenji Shimokawa
   • Mutsuo Morita

   Original Investigations Pages: 39 - 53

5. Binding/antibinding analyses for diatomic interactions. The effect of nuclear charge on one-electron chemical bonding

   • Toshikatsu Koga
   • Akihiro Hirashima
   • Mutsuo Morita

   Original Investigations Pages: 55 - 67

6. CEPA calculations on open-shell molecules. V. The vibration frequencies of SF and SCl

   • Volker Staemmler

   Original Investigations Pages: 69 - 80

7. The electronic structures of HCP and FCP: A comparison of the results of SCF calculations with several different basis sets, and the inclusion of electron correlation

   • Colin Thomson
   • Peter Ellam

   Original Investigations Pages: 81 - 86

8. Configuration interaction: Molecular orbitals for accurate calculations on diatomics

   • Fernando Rei Ornellas
   • Stanley Hagstrom

   Original Investigations Pages: 87 - 92