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Article: Data from University of Amsterdam advance knowledge in physical chemistry.
- Article from:
- Chemicals & Chemistry
- Article date:
- March 27, 2009
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According to recent research published in the Journal of Physical Chemistry C, "The silicate oligomerization reaction is key to sol-gel chemistry and zeolite synthesis. Numerous experimental and theoretical studies have been devoted to investigating the physical chemistry of silicate oligomers in the prenucleation stage of siliceous zeolite formation."
"Most of the reported computational studies of silica oligomerization employ a quantum chemical phase model supplemented with a continuum model for the solvent. We report a density-functional theory based molecular dynamics simulation of silica oligomerization in a bulk solution of explicit water molecules," wrote ...