𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Small copper clusters: Study of the local atomic and electronic structure by the XANES and DFT methods

✍ Scribed by V. L. Mazalova; G. E. Yalovega; A. V. Soldatov


Book ID
110203081
Publisher
Pleiades Publishing
Year
2009
Tongue
English
Weight
211 KB
Volume
3
Category
Article
ISSN
1027-4510

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


DFT study of the structural and electron
✍ G. AndrΓ©s Cisneros; Miguel Castro; Dennis R. Salahub πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 613 KB

All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w

On the Hartree-Fock and XΞ± descriptions
✍ D. Post; E.J. Baerends πŸ“‚ Article πŸ“… 1982 πŸ› Elsevier Science 🌐 English βš– 406 KB

A proper description of photocmiwon rcquues localized 33 holes. Thts resolves the reported disnepaocy bctaeen Hz~rtree-rock and Xa dcnsltics of states for metal cluslcrs. Cohesive cnergtes of Cu clusters (2-9 atoms) by LCAO Xn calculations arc reported. Allhough quantitshvcly diffcrcnt from Hartrec-