Molecular orbital calculations of the active site complex of two iron ferredoxins Gilda H. LoewDavid A. Steinberg Commentationes Pages: 107 - 130
The use of the CNDO method in spectroscopy R. L. EllisG. KuehnlenzH. H. Jaffé Commentationes Pages: 131 - 140
Finite electric field valence shell calculations of polarizability gradients and raman depolarization ratios for diatomic molecules N. S. HushM. L. Williams Commentationes Pages: 141 - 146
Calculated physical properties of a water molecule in an ice-Like cluster C. GuidottiU. LamannaM. Maestro Commentationes Pages: 147 - 156
Acceleration of convergence by density matrix extrapolation in CNDO/2 calculations J. C. RowlandR. L. Flurry Jr. Commentationes Pages: 157 - 161
A remark on the comparison between the roothaan open shell and half-electron method P. ČárskyR. Zahradník Commentationes Pages: 171 - 178
