Orbital-invariant formulation and second-order gradient evaluation in Møller-Plesset perturbation theory Peter PulaySvein Saebø OriginalPaper Pages: 357 - 368
Extended π-networks with multiple spin-pairing phases: resonance-theory calculations on poly-polyphenanthrenes G. E. HiteA. MetropoulosW. A. Seitz OriginalPaper Pages: 369 - 391
Wavefunction comparisons for the valence-bond model for conjugated π-networks D. J. KleinS. A. AlexanderG. E. Hite OriginalPaper Pages: 393 - 407
Dimer coverings and Kekulé structures on honeycomb lattice strips D. J. KleinG. E. HiteT. G. Schmalz OriginalPaper Pages: 409 - 423
The molecular electrostatic potential of some simple molecules G. G. HallK. Tsujinaga OriginalPaper Pages: 425 - 436
Relativistic effects on molecular structure: methyl derivatives of the fourth main-group elements J. AlmlofK. Faegri Jr. OriginalPaper Pages: 437 - 446
Dipole sums and intermolecular interaction coefficients derived from refractive index data Jonathan A. YoffeGerald M. MaggioraA. Terry Amos OriginalPaper Pages: 461 - 473
A Vineyard-type approximation for the distinct term of the dynamic pair correlation function R. VogelsangC. Hoheisel OriginalPaper Pages: 475 - 489
Ab initio calculation for properties of hydrogen bonded complexes H3N⋯HCN, HCN⋯HCN, HCN⋯HF, H2O⋯HF K. SomasundramR. D. AmosN. C. Handy OriginalPaper Pages: 491 - 503
Theoretical basis of the empirical reaction field approximations through continuum model Raymond Constanciel OriginalPaper Pages: 505 - 523
Factors influencing the calculation of molecular X-ray emission spectra T. W. RowlandsF. P. Larkins OriginalPaper Pages: 525 - 534
