The purpose of this review is to highlight how the antioxidant effectiveness (AE) of rubber
additives can be quantitatively interpreted using results from quantum‐chemical …

Aromatic amines, one of the most widely used low-cost antioxidants in rubbers, have been
regarded as pollutants with human health concerns. To overcome this problem, this study …

Abstract Double (2H+/2e−) free radical scavenging mechanisms of the most abundant
endogenous plasma antioxidant uric acid were theoretically studied using DFT method M05 …

A theoretical analysis of the thermodynamics of the oxidation–reduction reaction steps
associated with proton-coupled electron transfer is presented for aniline and …

Alkylated diphenylamines are amine antioxidants with excellent properties, widely used in
lubricating oils or rubber products to enhance their antioxidant properties. Herein …

The substituent effects on the N–H bond dissociation enthalpies (BDE), ionization energies
(IE), acidities (proton affinity, PA), and radical scavenging behavior of 3, 7-disubstituted …

The intermolecular interaction between diphenylamine (DPA) and p-sulfonatocalix [4] arene
(p-SC4) is studied by experimental and computational techniques. The 1: 1 stoichiometry of …

This report presents the N–H and O–H bond dissociation energies (BDEs) and enthalpies
(BDEts) of 27 para-substituted anilines and phenols using Density Functional Theory (DFT) …

There are undesirable effects leading to considerable changes in the properties of polymers
and plastics since exposing to oxygen undergo oxidative degradation. Therefore …

In order to maximize the peroxyl radical trapping capacity of diphenynlamines, the
substituents such as N, NMe 2, and CF 3 are suggested to add to their phenolic rings. The …