Cover Image, Volume 113, Issue 1
Article first published online: 22 NOV 2012
Copyright © 2012 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 113, Issue 1, pages i–ii, 5 January 2013
How to Cite
(2013), Cover Image, Volume 113, Issue 1. Int. J. Quantum Chem., 113: i–ii. doi: 10.1002/qua.24365
- Issue published online: 22 NOV 2012
- Article first published online: 22 NOV 2012
- Cited By
Shown on the cover is a recently reported iron(IV)-oxo complex with an (unusual) high-spin (S52) state. The correct description of multiplet states by theory is challenging as described in the Perspective by Marcel Swart on page on page 2. Different occupations of metal d-orbitals lead to different multiplet spin states, which are important for metal-oxo complexes, exchange-enhanced reactivity, spin-crossover and catalysis. Fortunately, recently some progress has been made towards understanding, and predicting, the drawbacks and successes of computational methods for these spinstate phenomena.