Ab initio computations on small copper compounds-CuO
- 15 January 1980
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 69 (2), 389-395
- https://doi.org/10.1016/0009-2614(80)85088-3
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- The electronic structure of CuCl: An “ab initio” Hartree-Fock SCF-MO study of the CuCl43− clusterJournal of Physics and Chemistry of Solids, 1978
- Binding and energy-level shifts of carbon monoxide adsorbed on nickel: Model studiesPhysical Review B, 1977
- A model transition metal-carbene system MnCH2Molecular Physics, 1977
- Chemical bonding and reactivity in nickel-ethene complexes. An ab initio MO-SCF studyJournal of the American Chemical Society, 1977
- Binding of dioxygen to metal complexes. The oxygen adduct of Co(acacen)Journal of the American Chemical Society, 1976
- Calculations on the permanganate ion in the ground and excited statesThe Journal of Chemical Physics, 1976
- Bonding, spectra, and geometry of the tetrachlorocuprate ion CuCl42-. Ab initio LCAO-MO-SCF calculationJournal of the American Chemical Society, 1973
- Gaussian basis sets for molecular wavefunctions containing third-row atomsTheoretical Chemistry Accounts, 1971
- Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row AtomsThe Journal of Chemical Physics, 1970
- Gaussian-Orbital Basis Sets for the First-Row Transition-Metal AtomsThe Journal of Chemical Physics, 1969