𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A Theoretical Study of Bonding in Lanthanide Trihalides by Density Functional Methods

✍ Scribed by Adamo, Carlo; Maldivi, Pascale

Book ID
124081276
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
89 KB
Volume
102
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Theoretical Design of Silicon–Phosphorus
Theoretical Design of Silicon–Phosphorus Triple Bonds: A Density Functional Study
✍ Chi-Hui Chen; Ming-Der Su πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 994 KB

## Abstract A density functional study on the effects of bulky aryl substituents on silicon–phosphorus triple bonds was carried out by using the B3LYP/3‐21G\* method. These investigations suggest that both the kinetic and thermodynamic stabilities of substituted (L–Si≑P–L)^+1^ molecules are strongl

Functionalization of carbon nanotubes by
Functionalization of carbon nanotubes by covalently bonded graphite nanoplatelets: a theoretical study
✍ Andrey N. Enyashin; Alexander L. Ivanovskii πŸ“‚ Article πŸ“… 2007 πŸ› Royal Society of Chemistry 🌐 English βš– 361 KB

Atomic models of carbon nanotubes functionalised by the covalently bonded graphite nanoplatelets are proposed and stability and electronic properties of these new (sp + sp 2 + sp 3 ) adducts are studied using the density functional tight-binding theory (DFTB) method.