Concepedia

Molecular simulation and machine learning assisted in exploring betaine-based deep eutectic solvent extraction of active compounds from peony petals

Shenglin Wang, Jiahui Wei, Hanwen Ge, Zexu Yan, Mingzhe Jiang, Jiale Lu, Meixian Pu, Bin Li, Huanfei Xu

Separation and Purification Technology · 2025 · 13 citations · 41 references

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References

41

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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The determination of flavonoid contents in mulberry and their scavenging effects on superoxide radicals

Jia Zhishen, Tang Mengcheng, Jianming Wu · Food Chemistry · 1999 · 8.6K citations

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Novel solvent properties of choline chloride/urea mixturesElectronic supplementary information (ESI) available: spectroscopic data. See http://www.rsc.org/suppdata/cc/b2/b210714g/

Andrew P. Abbott, Glen Capper, David L. Davies et al. · Chemical Communications · 2002 · 5.5K citations · Full text

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A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Tian Lu · The Journal of Chemical Physics · 2024 · 3.9K citations

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Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems

Tian Lu, Qinxue Chen · Journal of Computational Chemistry · 2022 · 3.5K citations

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