𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Investigation of the Structural and Electronic Properties of the Molecules and Crystals of Tetraphenyl Derivatives of Group IVA Elements

✍ Scribed by Lin, Tingting; Liu, Xue-Ming; He, Chaobin


Book ID
120973989
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
549 KB
Volume
108
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio investigation of the structura
✍ K. Haddadi; A. Bouhemadou; L. Louail πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 555 KB

We have investigated the structural, elastic and electronic properties of the anti-perovskite TlNCa 3 using ab initio calculations within the generalized gradient approximation and the local density approximation for the exchange-correlation potential. The lattice constant, bulk modulus, elastic con