Microscopic understanding of the reaction path and gas production mechanism of key functional groups in coal: Combination of molecular dynamics, quantum chemistry and experimental research

Binrui Li(China University of Mining and Technology), Lintao Hu(China University of Mining and Technology), Erhui Zhang(China University of Mining and Technology), Linhao Xie(China University of Mining and Technology), Baolin Qu(Chinese PLA General Hospital), Lei Zhang(Zhengzhou Institute of Machinery), Rui Li(Jilin University), Hongqing Zhu(China University of Mining and Technology)
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