Abstract
The MO LCAO SCF method has been used in the MNDO approximation to examine the electronic structures and formation energies for adsorption complexes for water on SiO2 stabilized by hydrogen and coordination bonds. Stabilization by several hydrogen bonds cannot explain the high initial heats of adsorption for dehydrated silica. H2O coordination complexes give higher energies, and hydroxylated silicon atoms on SiO2 are considered as primary water-adsorption centers.
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