Theory and range of modern semiempirical molecular orbital methods Thomas BredowKarl Jug OriginalPaper 21 November 2004 Pages: 1 - 14
Ab initio calculations of vibronic activity in phosphorescence microwave double resonance spectra of p-dichlorobenzene Òscar Rubio-PonsBoris MinaevHans Ågren OriginalPaper 16 November 2004 Pages: 15 - 27
Structure and torsional flexibility of the linkage between guanine and fluorene residues in the deoxyguanosine–aminofluorene and deoxyguanosine–acetylaminofluorene carcinogenic adducts Jan FloriánJames Borden OriginalPaper 13 December 2004 Pages: 28 - 34
Polyparametric modification equation for estimating thermodynamic properties of energetic nitro compounds Min-Hsien LiuCheng ChenChuan-Wen Liu OriginalPaper 06 December 2004 Pages: 35 - 41
Redox potential of iron–sulfur clusters as a model of the Desulfovibrio vulgaris center M. CzerwińskiM. Matusiewicz OriginalPaper 26 November 2004 Pages: 42 - 57
Newton leaves on potential energy surfaces Michael HirschWolfgang Quapp OriginalPaper 16 November 2004 Pages: 58 - 62
Structural and electronic trends in ortho-metalated dirhodium(II) complexes Pipsa HirvaPascual LahuertaJulia Pérez-Prieto OriginalPaper 22 November 2004 Pages: 63 - 68
