Accuracy of energy extrapolation in multireference configuration interaction calculations Charles F. JackelsIsaiah Shavitt Original Investigations Pages: 81 - 96
Theoretical study of the solvation of nitrogen. Two different approaches P. DemontisR. ErcoliG. B. Suffritti Original Investigations Pages: 97 - 109
Ab initio Hartree-Fock calculations of molecular X-ray intensities. Validity of one-center approximations Hans Ă…grenJoseph Nordgren Original Investigations Pages: 111 - 119
A comparison of the results of PCILO andab initio SCF calculations for the molecules glycine, cysteine and N-acetyl-glycine Patricia R. LaurenceColin Thomson Original Investigations Pages: 121 - 124
Ab initio CI study of the nitric oxide dimer (N2O2) Tae-Kyu Ha Original Investigations Pages: 125 - 130
Electronegatlvity and the bonding character of Molecular Orbitals Ricardo FerreiraAlberto O. de Amorim Original Investigations Pages: 131 - 136
Some rules forS(-2k) dipole sums? Jonathan A. YoffeGerald M. MaggioraA.Terry Amos Original Investigations Pages: 137 - 144
An internal coordinate invariant reaction pathway Michel SanaGeorges ReckingerGeorges Leroy Original Investigations Pages: 145 - 153
Unrestricted Hartree-Fock functions for the carbon and fluorine atoms David B. Cook Original Investigations Pages: 155 - 162
Correlations of13C chemical shifts and geometry modifications Donald B. ChesnutAubrey L. Helms Jr. Short Communication Pages: 163 - 165