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Theoretical Study of the Reaction Mechanism and Role of Water Clusters in the Gas-Phase Hydrolysis of SiCl 4

โœ Scribed by Ignatov, Stanislav K.; Sennikov, Petr G.; Razuvaev, Alexey G.; Chuprov, Lev A.; Schrems, Otto; Ault, Bruce S.


Book ID
125852926
Publisher
American Chemical Society
Year
2003
Tongue
English
Weight
170 KB
Volume
107
Category
Article
ISSN
1089-5639

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Theoretical study of the gas-phase react
โœ Ikchoon Lee; Bon-Su Lee; Jae Young Choi ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 580 KB

Transition states for the two probable pathways for the gas-phase hydrolysis of hydrogen isocyanate have been determined using the MIND013 method. Activation barriers obtained showed that the one-step mechanism is preferred to the two-step mechanism involving an intermediate. It was shown that the r