A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.
Density functional theory has been used to investigate the structures, bonding and properties of a family of hydride rich late transition metal clusters of the type [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4), [Rh(6)(PH(3))(6)H(16)](x) (x = +1 or +2) and [Rh(6)(PH(3))(6)H(14)](x) (x = 0, +1...
Asıl Yazarlar: | Brayshaw, S, Green, J, Hazari, N, Weller, A |
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Materyal Türü: | Journal article |
Dil: | English |
Baskı/Yayın Bilgisi: |
2007
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