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- W2364854471 abstract "The reaction between SiH_3 and O_2(~3Σg) has been studied by using the B3LYP/6-311G~(**) and the high-level electron-correlation CCSD(T)/6-311G~(**) single-point levels.The geometries for reacts,the transition states and the products are completely optimized.All the transition states are verified by the vibrational analysis and the internals reaction coordinat(IRC)calculations.The results indicate that the SiH_3+O_2(~3Σg) reaction has many possible channels,aftering combination,H-shift and decomposition,the products SiH_3O_2,SiH_2O_2+H,SiH_2O+OH,SiH_3O+O,SiHO_2+H_2 are formed." @default.
- W2364854471 created "2016-06-24" @default.
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- W2364854471 date "2005-01-01" @default.
- W2364854471 modified "2023-09-25" @default.
- W2364854471 title "A calculation study on the reaction of SiH_3+O_2(~3Σg)" @default.
- W2364854471 hasPublicationYear "2005" @default.
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