Concepedia

Effect of the bifunctionalization of aminomethylphosphonic acid on the structural, electronic, vibrational, thermodynamic and antioxidant activity: Microwave-assisted synthesis, Density Functional Theory studies and DPPH radical scavenging activity

Omar Larbi Bouamrane, Abdelkader Hellal, Kamel Hachama, Lasnouni Touafri, Ines Haddadi, Houdheifa Layaida, Imene Kirouani, Abdelkader Hassani, Mohamed Mersellem, Abdelghani Madani

Journal of Molecular Structure · 2021 · 19 citations · 50 references

DOI

Concepts

References

50

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

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

, , +13

Use of a free radical method to evaluate antioxidant activity

Wendy Brand-Williams, Marie‐Elisabeth Cuvelier, Claudette Berset · LWT · 1995 · 24.6K citations · Full text

, , +9

Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan, J. Stephen Binkley, Rolf Seeger et al. · The Journal of Chemical Physics · 1980 · 17.1K citations

Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.1K citations

, , +14

Density functional approach to the frontier-electron theory of chemical reactivity

Robert G. Parr, Weitao Yang · Journal of the American Chemical Society · 1984 · 3.5K citations

, , +17