How important is correlation in the description of the Ni-H2O interaction
- 4 December 1987
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 142 (1-2), 71-75
- https://doi.org/10.1016/0009-2614(87)87252-4
Abstract
No abstract availableKeywords
This publication has 18 references indexed in Scilit:
- General contraction of Gaussian basis sets. I. Atomic natural orbitals for first- and second-row atomsThe Journal of Chemical Physics, 1987
- Bonding of water ligands to copper and nickel atoms: crucial role of intermolecular electron correlationThe Journal of Physical Chemistry, 1986
- Theoretical study of the 7Σ+u state of N2The Journal of Chemical Physics, 1986
- The binding in neutral transition metal-water complexesChemical Physics Letters, 1986
- Transition metal–ligand bonding. IIThe Journal of Chemical Physics, 1986
- Studies of reactions of atomic and diatomic chromium, manganese, iron, cobalt, nickel, copper, and zinc with molecular water at 15 KThe Journal of Physical Chemistry, 1985
- Interaction between nickel and the ligand groups carbonyl, water, and phosphineThe Journal of Physical Chemistry, 1985
- On the nature of the bonding of lone pair ligands to a transition metalThe Journal of Chemical Physics, 1984
- The choice of Gaussian basis sets for molecular electronic structure calculationsJournal de Chimie Physique et de Physico-Chimie Biologique, 1981
- Effective convergence to complete orbital bases and to the atomic Hartree–Fock limit through systematic sequences of Gaussian primitivesThe Journal of Chemical Physics, 1979