Relativistically parameterized extended hückel calculations. IX. An iterative version with applications to some xenon, thorium and uranium compounds
- 1 February 1986
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 101 (3) , 355-369
- https://doi.org/10.1016/0301-0104(86)85071-6
Abstract
No abstract availableThis publication has 89 references indexed in Scilit:
- Relativistically parameterized extended Hueckel calculations. 8. Double-.zeta. parameters for the actinoids thorium, protactinium, uranium, neptunium, plutonium, and americium and an application on uranylThe Journal of Physical Chemistry, 1984
- Electronic structure and ESCA shake-up of the UF6 moleculeChemical Physics, 1984
- Charge iterative relativistic extended Hückel theory and its application to the digermene, distannene and diplumbene systemsChemical Physics Letters, 1984
- Time-reversal symmetry, Kramers' degeneracy and the algebraic eigenvalue problemChemical Physics, 1983
- Relativistically parameterized extended Hückel calculations. VII. Nuclear spin—spin coupling tensors and densities of states for cluster models of CdTe, HgTe and PbTeChemical Physics, 1982
- Relativistically parameterized extended Hueckel calculations. 3. Structure and bonding for some compounds of uranium and other heavy elementsInorganic Chemistry, 1981
- QuasirelativisticMO calculations on platinum complexes (anticancer drugs) and their interaction with DNAInternational Journal of Quantum Chemistry, 1980
- Relativistically parameterized extended Hückel theoryChemical Physics Letters, 1979
- Semi-quantitative and semi-empirical versions in the quasi-relativisticSCF-MO-LCAO methods: Numerical calculations for (PtCl6)2?International Journal of Quantum Chemistry, 1977
- Relativistic self-consistent field program for atoms and ionsComputer Physics Communications, 1971