𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A DFT study for the structural and electronic properties of ZnmSennanoclusters

✍ Scribed by Yadav, Phool Singh; Pandey, Dheeraj Kumar


Book ID
118302305
Publisher
Springer-Verlag
Year
2012
Tongue
English
Weight
357 KB
Volume
2
Category
Article
ISSN
2190-5509

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

Performance of DFT in modeling electroni
✍ Jadwiga Kuta; Seguei Patchkovskii; Marek Z. Zgierski; Pawel M. Kozlowski πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 497 KB

## Abstract Computational modeling of the enzymatic activity of B~12~‐dependent enzymes requires a detailed understanding of the factors that influence the strength of the Coο£ΏC bond and the limits associated with a particular level of theory. To address this issue, a systematic analysis of the elec