A comparative ab initio study of ethylene, acetylene and benzene Inga Fischer-HjalmarsPer Siegbahn Commentationes Pages: 1 - 17
Complementary molecular orbital investigations on the conformation of choline derivatives Bernard PullmanPhilippe Courrière Commentationes Pages: 19 - 37
Ab initio calculations on small hydrides including electron correlation Hans Lischka Commentationes Pages: 39 - 48
Ab initio calculations on small hydrides including electron correlation Volker Staemmler Commentationes Pages: 49 - 61
Ab initio calculations on large molecules using molecular fragments. Characterization of the zwitterion of glycine Lester L. ShipmanRalph E. Christoffersen Commentationes Pages: 75 - 82
An ab initio study of the A Ac1 hydrolysis mechanism of formamide A. C. HopkinsonI. G. Csizmadia Commentationes Pages: 83 - 89
An application of RPA theory to conjugated systems in the excited states Kazuo KitauraKichisuke Nishimoto Relationes Pages: 91 - 94
CNDO/2 and INDO calculations of a reaction pathway for the sigmatropic [1, 5] H-shift in cyclopentadiene J. R. de DobbelaereJ. W. de HaanG. J. Visser Relationes Pages: 95 - 99