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Theoretical study on the reactions of trimethylsilane with chlorine and bromine atoms

โœ Scribed by Yuan Zhang; Hui Zhang; Jing-Yao Liu; Xue-Mei Duan; Ze-Sheng Li

Publisher
Springer
Year
2011
Tongue
English
Weight
730 KB
Volume
130
Category
Article
ISSN
1432-2234

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In this work, we use quantum chemistry (DFT-UBH&HLYP/6-311G(d,p)) coupled to kinetic calculations to obtain a detailed view of the mechanism of the Cl + aldehyde reactions when the size of the aldehyde increases. A series of linear and ramified aliphatic aldehydes: H and (CH 3 ) 3 CC(O)H has been c