𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An investigation of Hartree-Fock calculations on somed8andd10transition metal nitrosyls

✍ Scribed by J. Robert Jensen; Richard F. Fenske

Book ID
104803177
Publisher
Springer
Year
1978
Tongue
English
Weight
476 KB
Volume
48
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An investigation of correlation effects
An investigation of correlation effects in transition-metal sandwich complexes. Hartree-Fock studies on a series of metallocenes
✍ Jan AlmlΓΆf; Knut FΓ¦gri Jr.; Brigitte E.R. Schilling; Hans P. L:uthi πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 562 KB

Ab inilio Hartrce-Fock calculations have been performed on several selected ssndwich and half-ssndwich compounds. Errors in computed metal-iigand distances are ~stcmatically compared in order to determine what kind of correlation effects are iikcly to be important for describing the bonding situatio

An ab initio embedded-cluster approach t
An ab initio embedded-cluster approach to electronic structure calculations on perfect solids: a Hartree-Fock study of lithium hydride
✍ Alok Shukla; Michael Dolg; Hermann Stoll; Peter Fulde πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 409 KB

An ab initio embedded-cluster approach to electronic structure calculations on crystalline solids, within the framework of the linear combination of atomic orbitals method, is presented. The solid is modelled as a central cluster embedded in the field created by its environment (rest of the infinite