Stability of Transition-Metal Impurities in Ionic Fluorides from Approximate Hartree-Fock Cluster Calculations

Calculation of the Fermi contact term in

Calculation of the Fermi contact term in some transition metal complexes from unrestricted Hartree—Fock molecular orbitals

✍ G. de Brouckère; N.J. Trappeniers; C.A. Ten Seldam 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 287 KB

A msterdarn, The ~et~~er~l~~s (213rir prrb!icution of ihe Vtru der Wads Fund) Received 8 May19i3 A semi-empirical unrestricted Hytree-Fock MO method has been developed for the purpose of calculating the Fermi contact term Ln trsnsition metal complexes. An application tu the systems CuCIiand hinCl:-,