✦ LIBER ✦

Effect of a Lewis acid additive on active sites formation in zirconocene catalyst systems: a DFT study

✍ Scribed by P.G. Belelli; D.E. Damiani; N.J. Castellani

Book ID: 104056638
Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 640 KB
Volume: 208
Category: Article
ISSN: 1381-1169
DOI: 10.1016/j.molcata.2003.08.001

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Effect of a second ethylene molecule on

Effect of a second ethylene molecule on the insertion of ethylene in zirconocene catalyst systems: A QM semiempirical study

✍ A. Muñoz-Escalona; J. Ramos; V. Cruz; J. Martínez-Salazar 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 310 KB 👁 2 views

The PM3(tm) semiempirical method was used to show the effect of a second ethylene molecule in the backside position on the frontside ethylene insertion in the Cp 2 ZrO n Pr ϩ ␥-agostic resting state. The same calculations without a companion second ethylene molecule were performed to compare geometr

Effect of electron beam irradiation on t

Effect of electron beam irradiation on the formation of active sites in the Pt/H pentasil catalyst

✍ P. V. Markov; A. S. Pribytkov; N. N. Tolkachev; A. Yu. Stakheev; L. M. Kustov; V 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 169 KB

A DFT Study of the Molecular Mechanisms

A DFT Study of the Molecular Mechanisms of the Nucleophilic Addition of Ester-Derived Lithium Enolates and Silyl Ketene Acetals to Nitrones: Effects of the Lewis Acid Catalyst

✍ Luis R. Domingo; Manuel Arnó; Pedro Merino; Tomás Tejero 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 184 KB 👁 1 views

The role of tungsten in formation of act

The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)

✍ E. Broclawik; A. Góra; M. Najbar 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 140 KB

Hydrodynamic effect on the heterogeneity

Hydrodynamic effect on the heterogeneity of active sites of butadiene polymerization upon formation of titanium catalyst in situ

✍ V. Z. Mingaleev; V. P. Zakharov; I. A. Ionova; Al. Al. Berlin; Yu. B. Monakov 📂 Article 📅 2008 🏛 Pleiades Publishing 🌐 English ⚖ 210 KB

Theoretical Study of 1,3-Dipolar Cycload

Theoretical Study of 1,3-Dipolar Cycloaddition Reactions with Inverse Electron Demand − A DFT Study of the Lewis Acid Catalyst and Solvent Effects in the Reaction of Nitrones with Vinyl Ethers

✍ Luis R. Domingo 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 373 KB 👁 2 views