1. New designs for inhibitors of the NF-κB: DNA binding

   • Pedro A. Fernandes
   • Elsa S. Henriques
   • Virgínia M. M. C. Fernandes

   OriginalPaper 29 March 2005 Pages: 197 - 204

2. Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts

   • Robert Ponec
   • Patrick Bultinck
   • Dean J. Tantillo

   OriginalPaper 07 February 2005 Pages: 205 - 211

3. Valence basis sets for lanthanide 4f-in-core pseudopotentials adapted for crystal orbital ab initio calculations

   • J. Yang
   • M. Dolg

   OriginalPaper 25 April 2005 Pages: 212 - 224

4. Interpolated potential energy surface for abstraction and exchange reactions of NH ₃ + H and deuterated analogues

   • Gloria E. Moyano
   • Michael A. Collins

   OriginalPaper 05 March 2005 Pages: 225 - 232

5. Basis set effects on relative energies and HOMO–LUMO energy gaps of fullerene C₃₆

   • Kyoung Hoon Kim
   • Young-Kyu Han
   • Jaehoon Jung

   OriginalPaper 24 March 2005 Pages: 233 - 237

6. Reduced–size polarized basis sets for calculations of molecular electric properties. III. Second–row atoms

   • Zuzana Benkova
   • Andrzej J. Sadlej
   • Steven E. J. Bell

   OriginalPaper 23 April 2005 Pages: 238 - 247