An ab initio study of platinum hydrogen interaction
Potential energy surfaces of the ground state 3D(5d96s1) and the first excited state 1S(5d10) of the Pt-H2 interaction are calculated byusing variational and perturbative MRCI and pseudopotential relativistic methodologies in order to obtain the distances and the energies ofadsorption. Reaction mech...
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| Gepubliceerd in: | Revista Mexicana de Física |
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| Hoofdauteurs: | , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Sociedad Mexicana de Física A.C.
2006
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| Onderwerpen: | |
| Online toegang: | https://www.redalyc.org/articulo.oa?id=57065301 |
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