Quantum-chemical study of the coordination influence upon the acetylene acidity. Intermediate state of the reaction of acetylene oxidative dimerization

Quantum chemical studies of propene, eth

Quantum chemical studies of propene, ethylene, acetylene and dihydrogen reactivity in the insertion reaction into the titanium-alkyl bond

✍ Ivan I. Zakharov; Vladimir A. Zakharov; Georgii M. Zhidomirov 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 342 KB

## Abstract Using the ab initio method of SCF MO LCAOSCF MO LCAO: Self‐consistent field molecular orbital linear combination of atomic orbitals. in a valency‐splitted basis of the Gaussian functions we have studied the addition of various monomers (C~3~H~8~, C~2~H~4~, C~2~H~2~) and dihydrogen to t