Concepedia

Synergistic broad-spectrum bioactivity of some multifunctional novel Anil metal chelates: Design, synthesise, nonlinear optical properties, and biomedical applications supported by DFT and molecular docking insights

Rawan Al‐Faze, Nadiyah Alahmadi, Ibrahim Omar Barnawi, Mona M. A. Alharas, Hala M. Abo‐Dief, Samir A. Abdel‐Latif, Rafat M. El‐Khatib, Ahmed M. Abu‐Dief

Journal of Molecular Structure · 2025 · 10 citations · 100 references

DOI

Concepts

References

100

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

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

, , +13

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

, , +17

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16

The use of conductivity measurements in organic solvents for the characterisation of coordination compounds

W. J. Geary · Coordination Chemistry Reviews · 1971 · 9.4K citations

, , +10

Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch, John A. Pople, J. Stephen Binkley · The Journal of Chemical Physics · 1984 · 8.5K citations

, , +14