Ab initio calculation of the equilibrium geometry and the 13C, 17O and 27A1 NMR chemical shielding tensors of the system Al3+/CO
- 1 November 1982
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 72 (1-2) , 155-159
- https://doi.org/10.1016/0301-0104(82)87076-6
Abstract
No abstract availableThis publication has 13 references indexed in Scilit:
- 13C NMR investigations of carbon monoxide adsorbed in zeolitesChemical Physics Letters, 1981
- Coupled-Hartree-Fock calculations of susceptibilities and magnetic shielding constantsMolecular Physics, 1980
- Coupled-Hartree-Fock calculations of susceptibilities and magnetic shielding constantsMolecular Physics, 1980
- Molecular symmetry. II. Gradient of electronic energy with respect to nuclear coordinatesThe Journal of Chemical Physics, 1978
- An SCF method for hole statesThe Journal of Chemical Physics, 1976
- Numerical integration using rys polynomialsJournal of Computational Physics, 1976
- On the choice of gauge for approximate quantum mechanical wavefunctionsChemical Physics Letters, 1976
- A new solution for the gauge origin problemChemical Physics Letters, 1975
- Contribution of atomic orbital integrals to symmetry orbital integralsThe Journal of Chemical Physics, 1973
- The Chemical Shift and Other Second-Order Magnetic and Electric Properties of Small MoleculesPublished by Elsevier ,1966