Ab initio variational transition state theory and master equation study of the reaction (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5
In this paper we use variable reaction coordinate variational transition state theory (VRC-TST) to calculate the reaction rate constants for the two reactions, R1: (OH)3SiOCH2 + CH3 ⇌ (OH)3SiOC2H5, and R2: CH2OH + CH3 ⇌ C2H5OH. The first reaction is an important channel during the thermal decomposit...
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Main Authors: | , , , , , , , |
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Other Authors: | |
Format: | Article |
Language: | English |
Published: |
2015
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Subjects: | |
Online Access: | https://hdl.handle.net/10356/98118 http://hdl.handle.net/10220/25660 |
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Institution: | Nanyang Technological University |
Language: | English |
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