Concepedia

Spectroscopic studies, TD/DFT calculations, electrochemical, antibacterial, and Hirshfeld surface analysis of Ni(II) and Co(III) complexes based on 3-ethoxy salicylaldehyde

Lan‐Qin Chai, Chengguo Li, Yong‐Mei Chai, Ling Zhou

Journal of Molecular Structure · 2022 · 40 citations · 97 references

DOI

Concepts

References

97

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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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

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A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

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Multiwfn: A multifunctional wavefunction analyzer

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

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<i>OLEX2</i>: a complete structure solution, refinement and analysis program

Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography · 2009 · 31.6K citations

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