The internal double-bond insertion: A side reaction of aliphatic hydrocarbons degradation in soil

An investigation of the quantum chemical

An investigation of the quantum chemical description of the ethylenic double bond in reactions: II. Insertion of ethylene into a titanium-carbon bond

✍ Jensen, Vidar R.; B�rve, Knut J. 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 264 KB 👁 2 views

Insertion of ethylene into the Ti᎐methyl bond in TiH CH q is 2 3 chosen as a model reaction for investigating the performance of a range of contemporary quantum chemical models in polymerization studies. Basis set effects are investigated at the self-consistent-field level, covering Hartree᎐Fock, pu