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. Author manuscript; available in PMC: 2008 Sep 6.
Published in final edited form as: J Phys Chem B. 2006 Feb 16;110(6):2782–2792. doi: 10.1021/jp055341j

Figure 3.

Figure 3

Model compounds used for the optimization of internal parameters. Model A (left) was used to optimize Si-O and Si-H bond terms, Si-O-Si and O-Si-H angles and Si-O-Si-O and Si-O-Si-H torsions. Model B (right) was used to optimize Si-O(H) and O-H bonds, Si-O-H angles and O-Si-O-H dihedrals.