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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles

Dhrubajyoti Majumdar, Sourav Roy, Jessica Elizabeth Philip, Burak Tüzün, Suman Hazra

Inorganic Chemistry Communications · 2023 · 48 citations · 69 references

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69

Hirshfeld surface analysis

Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.8K citations

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Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

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Bonded-atom fragments for describing molecular charge densities

F. L. Hirshfeld · Theoretical Chemistry Accounts · 1977 · 6.9K citations

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Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

Axel D. Becke · The Journal of Chemical Physics · 1992 · 3.9K citations

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PLIP: fully automated protein–ligand interaction profiler

Sebastian Salentin, Sven B. Schreiber, V. Joachim Haupt et al. · Nucleic Acids Research · 2015 · 2.3K citations · Full text

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