๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Small ScC n Cyclic Clusters: A Density Functional Study of Their Structure and Stability

โœ Scribed by Redondo, Pilar; Barrientos, Carmen; Largo, Antonio


Book ID
126957863
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
457 KB
Volume
110
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Structure and stability of small boron c
โœ Ihsan Boustani ๐Ÿ“‚ Article ๐Ÿ“… 1995 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 395 KB

The structure and stability of small boron clusters B,, (n = 2-14) have been investigated employing density functional theory. The search for minima was performed using gradient methods at the local spin density level. Most of the final structures prefer planar or quasi-planar forms and can be consi

A density functional study of small nick
โœ M. C. Michelini; R. Pis Diez; A. H. Jubert ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 304 KB ๐Ÿ‘ 2 views

Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra