新型鸟苷化环磷腈的合成、理论研究及其在碳酸苯乙烯酯二氧化碳固定中的应用(Journal of Inorganic and Organometallic Polymers and Materials 2022)

清洁能源用共轭微孔聚合物的合成、改性、计算机模拟及应用研究进展(Progress in Polymer Science 2021)

从“S”到“O”：二硫代磷酸钠大气降解机理的实验与理论探讨(RSC Adv. 2020)

共价有机骨架对C4烃异丁烯具有高选择性吸附：互穿异构和踏板运动机理(Green Energy & Environment 2020)

PFAS对环境的影响：利用理论量子化学和QSPR模拟填补数据空白, Environment International, 2024, 108568, DOI: 10.1016/j.envint.2024.108568

【国内课题组】离子液体捕获可冷凝气体, Chem. Rev., 2023, DOI: 10.1021/acs.chemrev.3c00175

如何应用萜类深共晶溶剂去除水中的抗生素和染料：理论预测、实验验证和量子化学评估，Environmental Research, 2023, DOI:10.1016/j.envres.2023.116180

天然疏水深共晶溶剂捕集预燃烧CO2研究（ACS Sustainable Chem. Eng 2022）

苯酚和天然生物碱绿色溶剂的研究：溶剂和萃取剂的选择(CHEM ENG J 2022)

SelinfDB: A Database of Selectivity at Infinite Dilution for Liquid–Liquid Extraction(Ind. Eng. Chem. Res. 2021)

从木质纤维素生物质混合原料中提取糠醛和糠醛/5-羟甲基糠醛(ACS Sustainable Chem. Eng. 2021)

【国内课题组】气体在聚合物离子液体中溶解度的预测模型(Green Energy & Environment 2021)

双相萃取5-羟甲基糠醛溶剂筛选的多尺度模拟与实验研究(Green Chem. 2020)

活性炭表面富集氧官能团吸附去除七氟醚(Chemosphere 2020)

Effect of dissolution, evaporation, and photooxidation on crude oil chemical composition, dielectric properties and its radar signature in the Arctic environment (Marine Pollution Bulletin 2019)

CO2在离子液体中的溶解度模拟：更准确的COSMO-RS新参数（Green Energy & Environment publication 2018）

Understanding the Molecular Structure of HSW Coal at Atomic Level: A Comprehensive Characterization from Combined Experimental and Computational Study(Green Energy & Environment 2020)