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Activation of Light Alkanes on Pure and Fe and Al Doped Silica Clusters: A Density Functional and ONIOM Study
C-H bond activation methane ethane, silica Fe doping Al doping density functional DFT ONIOM
2010/4/16
C-H bond activation was studied by use of density functional theory (DFT) and ONIOM calculations as implemented in Gaussian 2003 at the B3LYP level utilising 6-31G* as the basis set for Si, Al, and Fe...
KIT-1介孔分子筛的化学修饰及吸附性能（Chemical Modification and Adsorption of the Pure Silica Mesoporous Molecular Sieve KIT-1 ）
介孔分子筛 KIT-1 化学修饰 吸附容量 水热稳定性
2010/8/25
The pure silica mesoporous molecular sieve (KIT-1) was chemically modified using both organic and inorganic precursors and characterized using FTIR, XRD, MAS NMR, TG-DSC and physical adsorption-desorp...