1. Computational study of hydrogen-bonded complexes between the most stable tautomers of L-leucine and bases of RNA

   • Yaying Zhao
   • Lixin Zhou

   OriginalPaper 23 May 2005 Pages: 249 - 256

2. Variation of electrophilicity during molecular vibrations and internal rotations

   • R. Parthasarathi
   • M. Elango
   • P. K. Chattaraj

   OriginalPaper 04 May 2005 Pages: 257 - 266

3. Estimating the Hartree—Fock limit from finite basis set calculations

   • Frank Jensen

   OriginalPaper 10 June 2005 Pages: 267 - 273

4. The effects of solvation in the theoretical spectra of cationic dyes

   • P. Homem-de-Mello
   • B. Mennucci
   • A. B. F. da Silva

   OriginalPaper 23 May 2005 Pages: 274 - 280

5. Properties of modified cyclo-olefin copolymers predicted by ab initio and molecular simulation techniques

   • J. Katajisto
   • M. Linnolahti
   • T. A. Pakkanen

   OriginalPaper 23 May 2005 Pages: 281 - 286

6. Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs

   • M. Kohout
   • K. Pernal
   • Yu. Grin

   OriginalPaper 06 May 2005 Pages: 287 - 293

7. Erratum to: The nature of the chemical bond revisited. An energy partitioning analysis of diatomic molecules E₂ (E = N–Bi, F–I), CO and BF

   • Catharine Esterhuysen
   • Gernot Frenking

   Erratum 17 May 2005 Pages: 294 - 294