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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Publicat a:ACS Omega
Autors principals: Al Omari, Rima H., Almatarneh, Mansour H., Alnajajrah, Asmaa Y., Al-Sheraideh, Mohammed S., Al Abbad, Sanaa S., Alsunaidi, Zainab H. A.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2021
Accés en línia: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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