Ab initio MO SCF calculations of ESCA shifts in sulphur-containing molecules
Authors:
- U. GeliusUGU. Gelius
- B. RoosBRB. Roos
- P. SiegbahnPSP. Siegbahn
- 1 January 1970
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 4 (8) , 471-475
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- Ab initio calculations of d orbital participation in some sulphur compoundsChemical Physics Letters, 1969
- ESCA: chemical shifts of K-shell electron binding energies for first-row atoms in moleculesChemical Physics Letters, 1969
- Nitrogen 1s Electron Binding Energies. Correlation with CNDO ChargesThe Journal of Chemical Physics, 1968
- Molecular Orbitals and Inner-Electron-Shell Chemical Shifts for Sulfur and Chlorine Oxy-anionsThe Journal of Chemical Physics, 1967
- Electronic structure of large molecular systemsJournal of Computational Physics, 1966
- Electronic Population Analysis on LCAO–MO Molecular Wave Functions. IThe Journal of Chemical Physics, 1955