SCF LCAO MO calculations for the iso-electronic series ClO 4 ? , SO 4 2? , and PO 4 3?
- 1 January 1974
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 32 (3) , 273-278
- https://doi.org/10.1007/bf00527482
Abstract
No abstract availableKeywords
This publication has 16 references indexed in Scilit:
- SCF LCAO MO calculation for MnO−4Chemical Physics Letters, 1972
- SCF LCAO MO calculations on ClO4−, HCl and ClFChemical Physics Letters, 1971
- Ab initio calculations on furan with a new computer programChemical Physics Letters, 1971
- MO-SCF-LCAO studies of sulphur compoundsTheoretical Chemistry Accounts, 1971
- AB initio calculations for the 3d-exponent of phosphorus and sulphurChemical Physics Letters, 1970
- Ab initio calculations, using a small Gaussian basis set, of the electronic structure of the sulphate ionInternational Journal of Quantum Chemistry, 1970
- Polarization functions for first and second row atoms in Gaussian type MO-SCF calculationsTheoretical Chemistry Accounts, 1970
- Gaussian basis set for molecular wavefunctions containing second-row atomsTheoretical Chemistry Accounts, 1968
- Molecular Orbitals and Inner-Electron-Shell Chemical Shifts for Sulfur and Chlorine Oxy-anionsThe Journal of Chemical Physics, 1967
- Ab Initio Computations in Atoms and MoleculesIBM Journal of Research and Development, 1965