adf:paperofcosmors
COSMO-RS应用案例:流体热力学
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。
精选案例
2025
脂质中间相分散体在水中双酚A封存中的创新应用, Journal of Colloid and Interface Science, 2025 679,
849–859
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2024
【清华大学】基于COSMO-RS理论构建的机理-数据混合驱动机器学习模型预测乙炔溶解度,Journal of Molecular Liquids, 2024, Volume 414, Part B,
126194
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基于DFT/COSMO方法的低成本量子化学计算的新型QSPR分子描述符, Journal of Molecular Liquids, 2024,
Volume 407, 125256
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【台湾科技大学】极端条件下运行的锂金属电池的合理电解质设计:DFT、COSMO-RS和机器学习的联合研究, J. Mater. Chem. A, 2024,
12, 15792-15802
头和尾在甘油和蔗糖酯分离四氢呋喃和二甲基亚砜水中的作用, Physics of Fluids, 36,
074104 (2024)
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2023
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【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
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其他案例
2025
两性离子表面活性剂将环丁砜浓缩在漂浮泡沫中以净化水, Colloids and Surfaces C: Environmental Aspects, 2025, Volume 3,
100051
2024
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基于覆盆子酮的疏水共晶溶剂的探索, Fluid Phase Equilibria, 2024,
114287
DFT investigation of Schiff-base and pyridine derivatives mixed ligands in metal transition complexes: Electronic structures, EDA-NOCV analysis and absorption spectra simulation, Structure Chemistry, DOI:
10.21203/rs.3.rs-5365877/v1
【广西大学】基于分子模拟方法的变压器植物绝缘油和矿物绝缘油相容性研究, Data Science. ICPCSEE 2024. Communications in Computer and Information Science, vol 2213. Springer, Singapore. DOI:
10.1007/978-981-97-8743-2_13
【大连理工大学】基于螺旋生长模型和格子玻尔兹曼方法探讨溶剂化对多维粒度分布的影响, Industrial & Engineering Chemistry Research, 2024, DOI:
10.1021/acs.iecr.4c02103
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甜菜碱与盐酸甜菜碱乙腈-水分离的比较, Colloids and Surfaces A: Physicochemical and Engineering Aspects, Volume 700, 5 November 2024, 134804, DOI:
10.1016/j.colsurfa.2024.134804
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2023
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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
【国内课题组】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
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Substitutional flexibility and molecular pinning in porphyrin-based interfaces sensitive to NO2, Inorganica Chimica Acta, 2023, DOI:
10.1016/j.ica.2023.121657
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2022
2021
2020
更早
adf/paperofcosmors.txt · 最后更改: 2024/11/28 20:37 由 liu.jun