Non-empirical interpretation of nitrogen 14 nuclear quadrupole coupling constants E. KochanskiJ. M. LehnB. Levy Commentationes Pages: 111 - 129
Semiempirical SCF theory with “scaled” slater orbitals G. KlopmanR. Polák Commentationes Pages: 130 - 141
Eine vollständige CNDO/2-CI Berechnung von H2O und H2O+ P. RosmusJ. VojtíkV. Kvasnička Commentationes Pages: 142 - 148
Bestimmung der Atomladungen in Molekülen aus der Verschiebung der K α1/α2-Hauptlinie und ihrer Satellitenlinien für Elemente der 3.Periode Lothar PapulaWolfgang StrehlHans-Ulrich Chun Commentationes Pages: 149 - 156
Use of the mixed basis method for ab initio SCF MO calculations D. B. CookP. D. DacreM. Elder Commentationes Pages: 167 - 175
Conformational analysis of 5-hydroxytryptamine and its cation: Γ, Φ-energy contour diagram by the INDO molecular orbital method Sungzong KangMoon-Hae Cho Commentationes Pages: 176 - 183
SCF-π-electron calculations using orthogonalised atomic orbitals Gareth RobertsKeith D. Warren Commentationes Pages: 184 - 195
Localized π-orbitals, pauling bond orders, and the origin of aromatic stability Walter EnglandKlaus Ruedenberg Commentationes Pages: 196 - 213
Merged Gaussian lobe basis SCFMO calculations R. D. BrownF. R. BurdenB. T. Hart Commentationes Pages: 214 - 223
SCF MO INDO calculation of g-tensors of some σ-type radicals Tetsuo MorikawaOsamu KikuchiKazuo Someno Relationes Pages: 224 - 228
MINDO/2 calculations on the reaction of methyl radicals with ethylene and butadiene James R. Hoyland Relationes Pages: 229 - 233
Interaction independent π bond orders for certain excited states C. G. BolliniJ. J. GiambiagiM. Segre De Giambiagi Relationes Pages: 234 - 238
