𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical DFT study of the structure and chemical activity of small indium(III) oxide clusters

✍ Scribed by Nurbosyn U. Zhanpeisov; Hiroaki Nakatani; Hiroshi Fukumura


Book ID
106517982
Publisher
Springer Netherlands
Year
2011
Tongue
English
Weight
397 KB
Volume
37
Category
Article
ISSN
0922-6168

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

A DFT quantum-chemical study on the stru
✍ Ivan I. Zakharov; Vladimir A. Zakharov; Alexandr G. Potapov; Georgii M. Zhidomir πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 145 KB πŸ‘ 2 views

The electronic structure and geometry of polymethylaluminoxane (MAO) [ 1Al(CH 3 )O1 ] n with different size (n = 4 -12) have been studied using quantum-chemical DFT (density functional theory) calculations. It has been found: 1) Starting from n = 6, the three-dimensional oxo-bridged (cage) structure