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Chem. Mater. In Chemistry of Materials, Vol. 20, No. 7. (13 March 2008), pp. 2522-2531, doi:10.1021/cm703437y Key: citeulike:11485650
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FFSiOH is a new shell-ion model potential that gives structures, vibrational features, and energetic in excellent agreement with both experiment and B3LYP for a large variety of hydroxylated silica-based materials.
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