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Ab initio calculation of the magnetic ex

Ab initio calculation of the magnetic exchange coupling in linear oxo-bridged heterobinuclear complexes of titanium (III), vanadium (III), and chromium (III)

✍ Ch. Kolczewski; K. Fink; V. Staemmler 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 328 KB 👁 2 views

Quantum chemical ab initio calculations have been performed for the magnetic exchange coupling in three linear oxo-bridged heterobinuclear transition-metal Ž . Ž . complexes of the form L M III -O-M III L with M , M s Ti, V, Cr. In order to 5 1 2 5 1 2 simplify the calculations, the terminal ligands