Computational study of hydrogen-bonded complexes between the most stable tautomers of L-leucine and bases of RNA Yaying ZhaoLixin Zhou OriginalPaper 23 May 2005 Pages: 249 - 256
Variation of electrophilicity during molecular vibrations and internal rotations R. ParthasarathiM. ElangoP. K. Chattaraj OriginalPaper 04 May 2005 Pages: 257 - 266
Estimating the Hartree—Fock limit from finite basis set calculations Frank Jensen OriginalPaper 10 June 2005 Pages: 267 - 273
The effects of solvation in the theoretical spectra of cationic dyes P. Homem-de-MelloB. MennucciA. B. F. da Silva OriginalPaper 23 May 2005 Pages: 274 - 280
Properties of modified cyclo-olefin copolymers predicted by ab initio and molecular simulation techniques J. KatajistoM. LinnolahtiT. A. Pakkanen OriginalPaper 23 May 2005 Pages: 281 - 286
Electron localizability indicator for correlated wavefunctions. II Antiparallel-spin pairs M. KohoutK. PernalYu. Grin OriginalPaper 06 May 2005 Pages: 287 - 293
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 EsterhuysenGernot Frenking Erratum 17 May 2005 Pages: 294 - 294