THEORETICAL STUDY OF PRIMARY ANTIOXIDANT ACTION THERMODYNAMICS
E. Klein, V. Lukeš, J. Rimarčík, A. Kleinová (DOI: 10.24874/jsscm.2017.11.02.11)
Abstract
This paper presents a brief overview of our research focused on the thermodynamics of primary antioxidant action related mainly to (poly)phenolic compounds. Reaction enthalpies for three mechanisms of radical scavenging by primary (chain-breaking) antioxidants or model compounds have been investigated using quantum chemical calculations.