Concepedia

Synthesis, structural elucidation, DFT calculation, biological studies and DNA interaction of some aryl hydrazone Cr3+, Fe3+, and Cu2+ chelates

Ahmed M. Abu‐Dief, Rafat M. El‐Khatib, Faizah S. Aljohani, Hessah A. AL-Abdulkarim, Seraj Omar Alzahrani, Gehad El-Sarrag, Mohamed Ismael

Computational Biology and Chemistry · 2022 · 129 citations · 44 references

DOI

Concepts

References

44

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

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From molecules to solids with the DMol3 approach

B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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DOCK 6: Combining techniques to model RNA–small molecule complexes

P. Therese Lang, Scott R. Brozell, Sudipto Mukherjee et al. · RNA · 2009 · 749 citations · Full text

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Some new nano-sized Fe(II), Cd(II) and Zn(II) Schiff base complexes as precursor for metal oxides: Sonochemical synthesis, characterization, DNA interaction, in vitro antimicrobial and anticancer activities

Laila H. Abdel‐Rahman, Ahmed M. Abu‐Dief, Rafat M. El‐Khatib et al. · Bioorganic Chemistry · 2016 · 283 citations

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