𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Activation of Ziegler-Natta catalysts by organohalide promoters: A combined experimental and density functional theory study

✍ Scribed by Naeimeh Bahri-Laleh; Hassan Arabi; Shahram Mehdipor-Ataei; Mehdi Nekoomanesh-Haghighi; Gholamhosein Zohuri; Mehrdad Seifali; Zahra Akbari

Publisher
John Wiley and Sons
Year
2011
Tongue
English
Weight
342 KB
Volume
123
Category
Article
ISSN
0021-8995

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Coadsorption and Support-Mediated Intera
Coadsorption and Support-Mediated Interaction of Ti Species with Ethyl Benzoate in MgCl2-Supported Heterogeneous Ziegler-Natta Catalysts Studied by Density Functional Calculations
✍ Toshiaki Taniike; Minoru Terano πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 245 KB

## Abstract We have firstly examined how the presence of ethyl benzoate (EB) close to the Ti species affects its stability and charge density on single crystal MgCl~2~ (110) and (100) surfaces by periodic density functional calculations. The energetic modification upon the coadsorption of EB and th

A study of nitrogen oxides by using dens
A study of nitrogen oxides by using density functional theory and their comparison with ab initio and experimental data
✍ Branko S. Jursic πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 459 KB πŸ‘ 2 views

Ab initio and density functional theory (DFT) methods have been applied to generated geometries of chemical systems built only from nitrogen and oxygen. The results of hybrid, local, and nonlocal DFT methods were compared with ab initio HF and MP2 methods. The suitability of DFT methods for modeling