Simple ab initio calculations using a floating basis Peter H. Blustin Original Investigations Pages: 1 - 15
A statistical thermodynamic supermolecule-continuum study of ion hydration: Cell and shell methods Gary W. SchnuelleS. SwaminathanDavid L. Beveridge Original Investigations Pages: 17 - 27
Hydration scheme of uracil and cytosine Alberte PullmanDavid Perahia Original Investigations Pages: 29 - 36
All-electron SCF LCAO MO calculations on various conformations of cis- and trans-stilbene Andreas WolfHans-Herbert SchmidtkeJan V. Knop Original Investigations Pages: 37 - 45
SCF MO CI perturbation calculations of inner shell and valence shell vertical ionization potentials Hans-Lothar HaseGünther LauerArmin Schweig Original Investigations Pages: 47 - 57
A critical study of basis set effects and the use of approximate natural orbitals in SCF-CI calculations of molecular geometries and heats of reaction Gunnar KarlströmBo JönssonPer E. M. Siegbahn Original Investigations Pages: 59 - 74