Valence shell calculations on polyatomic molecules D. D. ShilladyF. P. Billingsley IIJ. E. Bloor Commentationes Pages: 1 - 8
Molecular SCF calculations for the ground state of some three-membered ring molecules: Cis and trans diaziridine, oxaziridine and the corresponding imminium ions Rosanna BonaccorsiEolo ScroccoJacopo Tomasi Commentationes Pages: 17 - 27
Etude théorique de quelques cycles à quatre pièces J. M. AndréM. Cl. AndréG. Leroy Commentationes Pages: 28 - 43
Generalized quantum mechanical two-centre problems Siegfried KehlKlaus HelfrichHermann Hartmann Commentationes Pages: 44 - 62
Ab initio calculations of small hydrides including electron correlation Maurice GélusReinhart AhlrichsWerner Kutzelnigg Commentationes Pages: 63 - 68
OCE-Modellrechnungen mit minimalen STO-Basissätzen an einigen Zinnhydriden vom Typ SnHn, SnH n + und SnH n - (n=3, 4 oder 5) Hermann HartmannLothar PapulaWolfgang Strehl Commentationes Pages: 69 - 78
GF Calculations for some tricyclic molecules: C3H6, C3H4, C2H4NH, C2H4O and C2H4S P. Filippo FranchiniMaurizio Zandomeneghi Relationes Pages: 90 - 97
Semi-empirical calculations on the ZFS parameters of phosphorescent charge-transfer complexes J. De JongC. Maclean Relationes Pages: 98 - 104
Calcul approché des contributions dipolaires et orbitales au couplage J cc à l'aide de fonctions d'onde LCAO-SCF non empiriques Claudette BarbierHenri FaucherGaston Berthier Relationes Pages: 105 - 109