Concepedia

Theoretical evaluation of the antioxidant activity of some stilbenes using the Density Functional Theory

Salima Hamadouche, Ali Ounissi, Kaouther Baira, Nadia Ouddaï, Marco Balsamo, Alessandro Erto, Yacine Benguerba

Journal of Molecular Structure · 2020 · 18 citations · 41 references

DOI

Concepts

References

41

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

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Free radicals in biology and medicine

General Pharmacology The Vascular System · 1991 · 17.2K citations

, , +12

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Andreas Klamt, Gerrit Schüürmann · Journal of the Chemical Society Perkin Transactions 2 · 1993 · 9.4K citations

, , +17

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