The symmetry behaviour of the first-order density matrix and its natural orbitals for linear molecules W. A. Bingel Commentationes Pages: 319 - 330
A semi-empirical approach to the estimation of ESR isotropic hyperfine coupling constants in aromatic radicals M. F. ChiuB. T. Sutcliffe Commentationes Pages: 331 - 345
The restriction of spin contamination in unrestricted Hartree Fock wave functions T. A. ClaxtonD. McWilliams Commentationes Pages: 346 - 350
Coupling coefficients for the octahedral group with orthorhombic components Lawrence L. Lohr Jr. Commentationes Pages: 373 - 376
Semi-empirical calculations on methyl substituted aromatics David M. BishopHirotoshi Ito Commentationes Pages: 377 - 392
Comparison of Omega and PPP techniques for reactivity calculations in methyl-substituted naphthalenes Le -Khac HuyW. Forst Commentationes Pages: 393 - 400
Uses of pair energy techniques in molecular calculations: The ammonia molecule C. F. Bender Relatio Pages: 401 - 402