A DFT study for the structural and electronic properties of ZnmSennanoclusters
β 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.
π SIMILAR VOLUMES
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
## Abstract Computational modeling of the enzymatic activity of B~12~βdependent 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