Concepedia

DFT study on the antioxidant activity of rosmarinic acid

Huai Cao, Weixian Cheng, Cong Li, Xulin Pan, Xiaoguang Xie, Taohong Li

Journal of Molecular Structure THEOCHEM · 2005 · 118 citations · 18 references

DOI

Concepts

References

18

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

Michael J. S. Dewar, Eve G. Zoebisch, Eamonn F. Healy et al. · Journal of the American Chemical Society · 1985 · 13.1K citations

, , +10

Role of Frontier Orbitals in Chemical Reactions

Kenichi Fukui · Science · 1982 · 2.7K citations

, , +13

Predicting the Activity of Phenolic Antioxidants:  Theoretical Method, Analysis of Substituent Effects, and Application to Major Families of Antioxidants

James S. Wright, Erin R. Johnson, Gino A. DiLabio · Journal of the American Chemical Society · 2001 · 1.6K citations

, , +15

Flavonoids as Antioxidants

Slobodan V. Jovanović, Steen Steenken, Mihajlo Tošić et al. · Journal of the American Chemical Society · 1994 · 1.2K citations

, , +10

Three methods to measure RH bond energies

J. Berkowitz, G. Barney Ellison, David Gutman · The Journal of Physical Chemistry · 1994 · 1.1K citations

, , +6