𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional study of neutral and charged sodium and lead clusters in the jellium model

✍ Scribed by A. Rubio; L.C. Balbas; J.A. Alonso


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
791 KB
Volume
167
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Adsorption of CO on oxygen preadsorbed n
✍ Bulumoni Kalita; Ramesh C. Deka πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 689 KB

We present the results of a density functional calculation on adsorption of O 2 , CO, and their coadsorption at various sites of neutral, cationic, and anionic Pd 4 clusters. For all the clusters, the dissociative adsorption of oxygen sitting on Pd bridge sites is found to be preferable. Both O 2 an

Local Density Functional Study of Copper
✍ Xavier Crispin; Christophe Bureau; Victor Geskin; Roberto Lazzaroni; Jean-Luc Br πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 420 KB πŸ‘ 2 views

Density Functional Theory is used to study the influence of to the system, a simple expression is proposed to estimate its value from the eigenenergies of the frontier levels in neutral the size of copper clusters modeling the Cu(100) surface, on the electronic properties: ionization potential, elec

Acidic properties of [Al], [Ga] and [Fe]
✍ Paul Strodel; Konstantin M. Neyman; Helmut KnΓΆzinger; Notker RΓΆsch πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 577 KB

The Brensted acid strength and related characteristics of bridging hydroxyl groups in [Al]-, [Gal-and [Fe]-frameworksubstituted zeolites have been studied using a model cluster density functional approach based on a gradient-corrected exchange-correlation energy functional. The acidity is found to d