Potential energy surfaces for RhCO from
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W. Biemolt; A. P. J. Jansen
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Article
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1994
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John Wiley and Sons
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English
โ 999 KB
We present potential energy surfaces for Rh-CO obtained from density functional theory for two electronic states of Rh-CO. We have performed local spin-density calculations including relativistic as well as gradient corrections. The construction of a reasonably accurate atom-atom potential for Rh-CO