HMO-elektronen-Struktur von Annulenen mit Bindungsalternanz Oskar E. PolanskyFilip FratevWenelin Entschev Original Investigations Pages: 1 - 8
SCF and CASSCF studies of geometrical rearrangements in LiBO Alexandr V. NemukhinJan E. AlmlöfAnders Heiberg Original Investigations Pages: 9 - 16
The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. Theσ andπ contributions within the FPT INDO method Alejandro R. EngelmannRubén H. ContrerasJulio C. Facelli Original Investigations Pages: 17 - 24
Chemical applications of group theory and topology. X. Topological representations of hyperoctahedrally restricted eight-coordinate polyhedral rearrangements [1] R. Bruce King Original Investigations Pages: 25 - 45
Non empirical quantum mechanical calculations of the1H,13C,15N and17O magnetic shielding constants and of the spin-spin coupling constants in formamide, hydrated formamide and N-methylformamide Fernando Ribas PradoClaude Giessner-PrettreKen R. Metz Original Investigations Pages: 55 - 69
Scaling in second-order electron correlation calculations using systematic sequences of even-tempered basis sets Stephen Wilson Original Investigations Pages: 71 - 80
Necessary conditions for the calculation of useful electrostatic isopotential maps from CNDO/INDO wavefunctions Anthony J. Duben Original Investigations Pages: 81 - 85
Hypervirial theorems and restrictions on wave functions Francisco M. FernándezEduardo A. Castro Short Communications Pages: 87 - 89
Comments on McBride's completion of Kroner's proof that hydrogens of benzene are homotopic K. Balasubramanian Short Communications Pages: 91 - 93
