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Optical and magnetic properties of Fe2+ and Cr2+ in II–VI semiconductors: the Jahn-Teller effect

✍ Scribed by David Colignon; Eduard Kartheuser; Sergio Rodriguez; Murielle Villeret


Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
257 KB
Volume
159
Category
Article
ISSN
0022-0248

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The Jahn-Teller effect of the Cr2+ ion i
✍ Chinapong Kritayakornupong 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 151 KB 👁 2 views

## Abstract The hydration structure of Cr^2+^ has been studied using molecular dynamics (MD) simulations including three‐body corrections and combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) MD simulations at the Hartree‐Fock level. The structural properties are determined in