New designs for inhibitors of the NF-κB: DNA binding Pedro A. FernandesElsa S. HenriquesVirgínia M. M. C. Fernandes OriginalPaper 29 March 2005 Pages: 197 - 204
Geometric and electronic similarities between transition structures for electrocyclizations and sigmatropic hydrogen shifts Robert PonecPatrick BultinckDean J. Tantillo OriginalPaper 07 February 2005 Pages: 205 - 211
Valence basis sets for lanthanide 4f-in-core pseudopotentials adapted for crystal orbital ab initio calculations J. YangM. Dolg OriginalPaper 25 April 2005 Pages: 212 - 224
Interpolated potential energy surface for abstraction and exchange reactions of NH 3 + H and deuterated analogues Gloria E. MoyanoMichael A. Collins OriginalPaper 05 March 2005 Pages: 225 - 232
Basis set effects on relative energies and HOMO–LUMO energy gaps of fullerene C36 Kyoung Hoon KimYoung-Kyu HanJaehoon Jung OriginalPaper 24 March 2005 Pages: 233 - 237
Reduced–size polarized basis sets for calculations of molecular electric properties. III. Second–row atoms Zuzana BenkovaAndrzej J. SadlejSteven E. J. Bell OriginalPaper 23 April 2005 Pages: 238 - 247
