Die diamagnetische Suszeptibilität eines nicht kugelsymmetrischen Systems Hermann HartmannRegina SchuckJürgen Radtke Original Investigations Pages: 1 - 3
Pseudopotential calculations on ion-molecule complexes Wolfgang MariusPeter Schuster Original Investigations Pages: 5 - 11
UV spectral changes from rotational and inversion processes at the nitrogen center in aniline molecules Carol C. StrametzHans -Herbert Schmidtke Original Investigations Pages: 13 - 22
Cation-binding to biomolecules David PerahiaAlberte PullmanBernard Pullman Original Investigations Pages: 23 - 31
Population analysis based on occupation numbers of modified atomic orbitals (MAOs) Rolf HeinzmannReinhart Ahlrichs Original Investigations Pages: 33 - 45
Theoretical study of the electronic structure of diazomethane Jacques LievinGeorges Verhaegen Original Investigations Pages: 47 - 65
Application of SCF perturbation theory to molecular calculations David P. Santry Original Investigations Pages: 67 - 75
SCF-CI studies of the equilibrium structure and the proton transfer barrier H3O 2 − Björn O. RoosWolfgang P. KraemerGeerd H. F. Diercksen Original Investigations Pages: 77 - 82
Effect of water on the tautomeric equilibrium of uracil monoanions. A PCILO study Józef S. KwiatkowskiBernard Pullman Short Communications Pages: 83 - 86
The correct McLachlan method in free radicals and radical anions Colin L. Honeybourne Short Communications Pages: 87 - 90
On the use of projection operators in molecular dynamics M. SanquerJ. L. BaudourJ. C. Messager Short Communications Pages: 91 - 94