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...
| Main Authors: | , , , |
|---|---|
| Formato: | Journal article |
| Idioma: | English |
| Publicado: |
2007
|