Concepedia

Synthesis, characterization, mechanistic study, in-vitro and in-silico evaluation of antibacterial and antioxidant activities of novel pyrazole-pyrazoline hybrid systems

Najoua Barghady, Mohammed Chalkha, Imane Yamari, Noura Aflak, Oussama Abchır, Khalid Chebbac, Asmae Nakkabi, Samir Chtita, Karim Chkirate, Joel T. Mague,

Journal of Molecular Structure · 2024 · 22 citations · 55 references

DOI

Concepts

References

55

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

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

, , +16

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

<i>SHELXT</i>– Integrated space-group and crystal-structure determination

George M. Sheldrick · Acta Crystallographica Section A Foundations and Advances · 2014 · 28.6K citations · Full text

, , +16