Concepedia

Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered 1,2,4-triazole and pyrazole rings

Renjith Raveendran Pillai, Khalid Karrouchi, Saad Fettach, Stevan Armaković, Sanja J. Armaković, Younes Brik, Jamal Taoufik, Smaail Radi, My El Abbés Faouzi, M’hammed Ansar

Journal of Molecular Structure · 2018 · 89 citations · 65 references

DOI

Concepts

References

65

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

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

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Antioxidant activity applying an improved ABTS radical cation decolorization assay

Roberta Re, Nicoletta Pellegrini, Anna R. Proteggente et al. · Free Radical Biology and Medicine · 1999 · 24.9K citations

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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15K citations

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Diagnosis and Classification of Diabetes Mellitus

Diabetes Care · 2010 · 14K citations · Full text

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy et al. · Advanced Drug Delivery Reviews · 1997 · 11K citations

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