Title : Silicate glass and mineral dissolution: calculated reaction paths and activation energies for hydrolysis of a q3 si by H3O+ using ab initio methods.

Pub. Date : 2006 Jan 12

PMID : 16392856






1 Functional Relationships(s)
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1 Water molecules were included in the cluster to investigate the influence of explicit solvation on proton-transfer reactions and on the energy associated with hydroxylating the bridging oxygen atom (Obr). Water leptin receptor Homo sapiens