http://ai-totalus.com/bulls/1171/doble-rc WebDG6 ¼ DG*OH DG*O DGH+(pH) + eU (13) DG7 ¼ DG*OH DGH+(pH) + eU (14) TheGibbsfreeenergiesofeqn(8)–(14)(DG)arerelatedtothe adsorption energies of the various intermediate species. The adsorption free energy changes of these intermediate species are determined using DG ¼ DE + DZPE TDS, where DE can be calculated relative to H
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