Effective core potential calculations on small molecules containing transition metal atoms
β Scribed by O. Gropen; U. Wahlgren; L. Pettersson
- Publisher
- Elsevier Science
- Year
- 1982
- Tongue
- English
- Weight
- 515 KB
- Volume
- 66
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The performance of effective core potentials adjusted at the Hartree-Fock level but applied in density functional calculations has been tested in a set of calculations using various basis sets and/or core potentials. Test molecules have been the first-row transition-metal carbonyls Cr(CO),, Fe(CO),,
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v