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
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2024
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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
2024
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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
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2020
更早
adf/paperofcosmors.txt · 最后更改: 2024/09/10 13:33 由 liu.jun