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A DFT study on the thermal decomposition of 2-chloroethylsilane

✍ Scribed by Bei, Yiling; Liu, Qingyang; Feng, Shengyu


Book ID
120537625
Publisher
Springer
Year
2012
Tongue
English
Weight
222 KB
Volume
23
Category
Article
ISSN
1040-0400

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DFT study of the gas-phase thermal decom
✍ Edgar Marquez; Tania Cordova; Gabriel Chuchani πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 179 KB

## Abstract The mechanism of the gas‐phase elimination kinetics of 2‐ethoxypyridine has been studied through the electronic structure calculations using density functional methods: B3LYP/6‐31G(d,p), B3LYP/6‐31++G(d,p), B3PW91/6‐31G(d,p), B3PW91/6‐31++G(d,p), MPW1PW91/6‐31G(d,p), MPW1PW91/6‐31++G(d,