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Thermal Degradation and Bimolecular Decomposition of 2-Ethoxyethanol in Binary Ethanol and Isobutanol Solvent Mixtures: A Computational Mechanistic Study
[Image: see text] A thorough computational study of a thermal degradation mechanism of 2-ethoxyethanol (2-EE) in the gas phase has been implemented using G3MP2 and G3B3 methods. The stationary point geometries were optimized at the B3LYP functional utilizing the 6-31G(d) basis set. Intrinsic reactio...
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| Publicado no: | ACS Omega |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2021
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8158800/ https://ncbi.nlm.nih.gov/pubmed/34056483 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.1c01318 |
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