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Density-functional-theory calculations were performed to simulate hydrolysis paths of eight metal-methoxides, M(OMe) n M=Al and Ga for n=3, M=Si, Ge, Ti, and Zr for n=4 and M=V and Nb for n=5. Those paths are initial steps of the sol-gel process and were found to consist of substrates M(OMe) n and water-trimer clusters. Strain-free hydrogen-bond networks are constructed at transition...
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