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Electron correlation in weakly coupled binuclear transition metal compounds: Cyclopentadienyl-allyl-cyclobutadiene-dinickel

✍ Scribed by Michael C. Böhm


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
773 KB
Volume
60
Category
Article
ISSN
0301-0104

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Electron correlation in weakly coupled t
✍ Michael C. Böhm 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 501 KB

Hartree-Fock (HF) instabilities of the singlet, the non-singlet and the non-real type of a binuclear Ni complex are studied by a semi-empirical MO procedure of the INDO type. Breakdown of the HF approximation corresponds to pronounced angular correlation\_ Instabilities of this closed-shell system a