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Assessing Covalency in Cerium and Uranium Hexachlorides: A Correlated Wavefunction and Density Functional Theory Study

The electronic structure of a series of uranium and cerium hexachlorides in a variety of oxidation states was evaluated at both the correlated wavefunction and density functional (DFT) levels of theory. Following recent experimental observations of covalency in tetravalent cerium hexachlorides, bond...

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Detaylı Bibliyografya
Asıl Yazarlar: Reece Beekmeyer, Andrew Kerridge
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: MDPI AG 2015-11-01
Seri Bilgileri:Inorganics
Konular:
Online Erişim:http://www.mdpi.com/2304-6740/3/4/482
Etiketler: Etiketle
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