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Quantum Chemical Calculation of the Effects of H(2)O on Oxygen Functional Groups during Coal Spontaneous Combustion

[Image: see text] The effects of H(2)O on the low-temperature oxidation characteristics of coal have always been one of the keys in the research of coal spontaneous combustion, but most studies rely on experiments for macroscopic derivation, and theoretical researches at the microlevel are rarely me...

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Detalles Bibliográficos
Autores principales: Huo, Yujia, Zhu, Hongqing, He, Xin, Fang, Shuhao, Wang, Wei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8495840/
https://www.ncbi.nlm.nih.gov/pubmed/34632216
http://dx.doi.org/10.1021/acsomega.1c03673