A comparison of one-electron properties calculated from Gaussian SCF and CI wavefunctions R. E. KariI. G. Csizmadia Commentationes Pages: 1 - 10
Molecular orbital calculations on the conformation of polypeptides and proteins B. PullmanJ. L. CoubeilsD. Perahia Commentationes Pages: 11 - 22
Theory of magnetism close to the 5T2 — 1A1 crossover in iron(II) complexes E. KönigS. Kremer Commentationes Pages: 45 - 60
Photochemical dimerization of p-benzoquinone methyl derivatives in crystals Jiro HiguchiTakeshi Ito Commentationes Pages: 61 - 69
Correlation between C-H and C-C spin-spin coupling constants and s character of hybrids calculated by the maximum overlap method Z. B. MaksićM. Eckert-MaksićM. Randić Commentationes Pages: 70 - 79
Extension of the PCILO-method to the localized free radicals Jacqueline LangletMarcel GilbertJean -Paul Malrieu Commentationes Pages: 80 - 89
Theoretical study of the variations in the β-protons hyperfine splitting parameter of hydrocarbon radicals Marina BrustolonCarlo CorvajaGiovanni Giacometti Commentationes Pages: 90 - 104