DFT study of the effect of solvent on the H-atom transfer involved in the scavenging of the free radicals ●HO2 and ●O2 − by caffeic acid phenethyl ester and some of its derivatives

Free Radical Scavenging by Natural Polyphenols: Atom versus Electron Transfer

(2013) Florent Di Meo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A physicochemical examination of the free radical scavenging activity of Trolox: mechanism, kinetics and influence of the environment

(2013) Marta E. Alberto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid : DFT and TD-DFT studies

(2011) J.J. Fifen et al.   Computational and Theoretical Chemistry

Proton-Coupled Electron Flow in Protein Redox Machines

(2010) Jillian L. Dempsey et al.   CHEMICAL REVIEWS

Direct evaluation of the temperature dependence of the rate constant based on the quantum instanton approximation

(2010) Marcin Buchowiecki et al.   JOURNAL OF CHEMICAL PHYSICS

Study of the solvent effect on the enthalpies of homolytic and heterolytic N–H bond cleavage in p-phenylenediamine and tetracyano-p-phenylenediamine

(2010) Ján Rimarčík et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Single or double hydrogen atom transfer in the reaction of metal – Associated phenolic acids with •OH radical: DFT study

(2009) J.J. Fifen et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DFT study of the reaction of quercetin with and radicals

(2009) Z. Dhaouadi et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydrogen atom transfer in the reaction of hydroxycinnamic acids with OH and HO2 radicals: DFT study

(2008) M. Nsangou et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DFT study of the structure of hydroxybenzoic acids and their reactions with OH and radicals

(2007) M. Nsangou et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM