Microscopic understanding of the reaction path and gas production mechanism of key functional groups in coal: Combination of molecular dynamics, quantum chemistry and experimental researchBinrui Li, Lintao Hu, Hongqing Zhu et al.|Fuel|2025Cited by 25
Comparative study on oxidation reaction characteristics of different forms of hydroxyl‑containing coal moleculesHongqing Zhu, Rui Li, Binrui Li et al.|Journal of Molecular Structure|2024Cited by 19
Study on microstructure evolution and oxidation kinetics in Coal-Oil SymbiosisLintao Hu, Baolin Qu, Hongqing Zhu et al.|The Science of The Total Environment|2024Cited by 11
Response mechanism of dominant reactive functional groups in lignite under hypoxic conditions: a study combining phased microstructural and energy changesBinrui Li, Baolin Qu, Mangu Hu et al.|Fuel|2025Cited by 3
Atomic scale characterization of oxidation path of active functional groups and formation of by-products in coal regulated by oxygen concentration: Experimental and molecular dynamics simulationBinrui Li, Baolin Qu, Tianyu Li et al.|Fuel|2025Cited by 3