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High-spin-low-spin transitions in Fe(II) complexes by effective Hamiltonian method

✍ Scribed by Andrei L. Tchougréeff; Alexander V. Soudackov; Igor A. Misurkin; Hélène Bolvin; Olivier Kahn

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
658 KB
Volume
193
Category
Article
ISSN
0301-0104

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Low- and high-spin iron (II) complexes studied by effective crystal field method combined with molecular mechanics
✍ M. B. Darkhovskii; I. V. Pletnev; A. L. Tchougréeff 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB

## Abstract A computational method targeted to Werner‐type complexes is developed on the basis of quantum mechanical effective Hamiltonian crystal field (EHCF) methodology (previously proposed for describing electronic structure of transition metal complexes) combined with the Gillespie–Kepert vers