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Theoretical Study on the Mechanism for the Addition Reaction of SiH 3 with Propylene and Acetic Acid

✍ Scribed by Liu, Yongjun; Wang, Zhiguo; Suo, Yourui


Book ID
126889852
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
132 KB
Volume
110
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES


Theoretical study on the reaction of SiH
✍ Hui Zhang; Gui-Ling Zhang; Jing-Yan Liu; Miao Sun; Bo Liu; Ze-Sheng Li πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 236 KB πŸ‘ 2 views

## Abstract The multiple‐channel reactions SiH~3~ + SiH(CH~3~)~3~ β†’ products are investigated by direct dynamics method. The minimum energy path (MEP) is calculated at the MP2/6‐31+G(d,p) level, and energetic information is further refined by the MC‐QCISD (single‐point) method. The rate constants f

Theoretical study and rate constants cal
✍ Hui Zhang; Gui-Ling Zhang; Jing-Yao Liu; Miao Sun; Bo Liu; Ze-Sheng Li πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 211 KB πŸ‘ 2 views

## Abstract The multiple‐channel reactions SiH~3~ + SiH~3~CH~3~ β†’ products and SiH~3~ + SiH~2~(CH~3~)~2~ β†’ products are investigated by direct dynamics method. The minimum energy path (MEP) is calculated at the MP2/6‐31+G(d,p) level, and energetic information is further refined by the MC‐QCISD meth