Structural isomers and reactivity for Rh6 and Rh6+.
The structure, energetics, and interconversion of isomers of Rh(6) and Rh(6)(+) are studied by using density functional theory with Gaussian basis sets, using guess structures derived from basin-hopping simulations, and obtained by using the Sutton-Chen potential. A large range of spin multiplicitie...
| Auteurs principaux: | , , |
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| Format: | Journal article |
| Langue: | English |
| Publié: |
2006
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