What question did this study set out to answer?

To theoretically investigate the kinetics of the pyrene + OH reaction.

January 14, 2026Environmental Science Processes & Impacts0 citations

Ab Initio Kinetics of Pyrene + OH Reaction: A Revisited Study

TMTam Mai LNLoc T. NguyenVietnam National University Ho Chi Minh City LHLam Kim HuynhVietnam National University Ho Chi Minh City

Key Points

To theoretically investigate the kinetics of the pyrene + OH reaction.
Theoretical analysis of reaction kinetics using ab initio methods.
Identified the kinetics of the oxidation process initiated by OH.
Confirmed the carcinogenic nature of pyrene's reaction products.

Abstract

Pyrene is a compound belonging to the highly toxic class of polycyclic aromatic hydrocarbons and has carcinogenic properties; thus, the kinetics of its OH-initiated oxidation is theoretically investigated in a...

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