说明：以下仅仅是我们订阅谷歌学术收到的一部分文献，并非全部。

1. Structural, optimization of and mechanistic insights into a new thiosemicarbazone derivative as a highly sensitive and selective chemosensor for Hg2+ recognition using DFT, COSMO-RS, RSM, and molecular dynamics simulation approaches, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy (2023), doi: https://doi.org/10.1016/j.saa.2023.123340
2. Machine learning screening based strategy for the synthesis of a molecularly imprinted ionic liquid polymer for specific adsorption of perfluorooctanoic acid, Separation and Purification Technology (2023), doi: https://doi.org/10.1016/j.seppur.2023.124894
3. 从大麻花中回收大麻素的绿色方法：pH控制的水浸出, Separation and Purification Technology, Available online 7 August 2023, 124754，DOI: 10.1016/j.seppur.2023.124754
4. Substitutional flexibility and molecular pinning in porphyrin-based interfaces sensitive to NO2, Inorganica Chimica Acta, 2023, DOI: 10.1016/j.ica.2023.121657
5. 通过计算溶剂筛选和实验从食物垃圾中提取有价值的化学物质, Separation and Purificatio DOI: n Technology, 2023, DOI: 10.1016/j.seppur.2023.123719
6. 钴非晶态体系的固液平衡：实验和预测(Molecules 2023)
7. H2S和CO2在基于双(2-乙基己基)磺基琥珀酸阴离子的离子液体中的自由体积和溶解度的阳离子效应(Membranes 2023)
8. 线性解算-能量关系（LSER）和状态方程热力学：从LSER数据库中提取热力学信息(Liquids 2023)
9. 【国内课题组】ConvPred：基于深度学习的潜在有机反应预测框架(AIChE Journal 2023)

1. Improved Vapor Pressure Prediction from PR+COSMOSAC EOS using Normal Boiling Temperature(AIChE Journal 2022)
2. 仙人掌果皮活性炭有效去除阳离子染料的实验和理论研究(Environmental Science and Pollution Research 2022)
3. 使用共晶溶剂从黄褐藻中提取岩藻黄质—COSMO-RS筛选与实验验证(Journal of Environmental Chemical Engineering 2022)
4. 使用由ZnCl2处理过的废棉纤维制备的活性炭吸附CI-Reactive Red 141染料的新见解：统计物理、DFT、COSMO-RS和AIM研究(Journal of Molecular Liquids 2022)
5. Ionic liquids, the mixture of ionic liquids and their co-solvent with N, N-dimethylformamide as solvents for cellulose using experimental and COSMO study(Results in Engineering 2022)
6. Thermodynamic Descriptors of Sensible Heat Driven Liquid-Liquid Phase Separation(Journal of Molecular Liquids 2022)

1. 溶剂萃取工艺在制药工业中应用的溶剂损失研究(Chemical Engineering Science)
2. Influence of still design and modelling of the behaviour of volatile terpenes in an artificial model gin(Food and Bioproducts Processing 2021)
3. 碳纳米管和氮化硼纳米管作为抗癌药物载体的表面吸附环唑替尼：COSMO-RS和DFT分子研究(Journal of Molecular Liquids 2021)
4. SelinfDB: A Database of Selectivity at Infinite Dilution for Liquid–Liquid Extraction(Ind. Eng. Chem. Res. 2021)
5. 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)
6. 三氰甲烷基离子液体与水的热力学性质：实验和模拟(Journal of Solution Chemistry 2021)
7. 了解二甲基甲酰胺作为共溶剂在离子液体中溶解纤维素的作用：实验和理论方法(Journal of Molecular Liquids 2021)

1. 协同深共晶溶剂萃取锂(ACS Sustainable Chem. Eng. 2021)
2. 用COSMO方法预测制冷剂系统的热力学性质和相平衡(International Journal of Refrigeration 2020)
3. Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information(J. Chem. Phys. 2020)
4. 活性炭加氨水用于增强麻醉七氟醚吸附的研究(Separation and Purification Technology 2020)
5. 活性炭表面富集氧官能团吸附去除七氟醚(Chemosphere 2020)

1. Solubility model of metal complex in ionic liquids from first principle calculations (RSC Advances, 2019)
2. 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)
3. 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）