Concepedia

Selective quinizarin-linked bis-1,2,3-triazoles as probes for Fe(II)/(III): Characterization, metal ion binding, DFT, and antiallergy activity via docking studies

Sachin Kumar, Gurleen Singh, Ram Kumar Tittal, Jandeep Singh, Vikas D. Ghule, Renu Sharma

Journal of Molecular Structure · 2023 · 15 citations · 33 references

DOI

Concepts

References

33

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

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Multiwfn: A multifunctional wavefunction analyzer

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

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<b>Hard and Soft Acids and Bases</b>

Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations

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Gabedit—A graphical user interface for computational chemistry softwares

A. Allouche · Journal of Computational Chemistry · 2010 · 2.4K citations · Full text

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Efficient evaluation of electrostatic potential with computerized optimized code

Jun Zhang, Tian Lu · Physical Chemistry Chemical Physics · 2021 · 2.4K citations

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