Data of the reaction of 1,3,5-trimethylbenzene bicyclic peroxy radical with OH

Data of the reaction mechanisms and kinetics of the atmospheric reaction of the 1,3,5-trimethylbenzene (1,3,5-TMB) BPR with the OH radical which were studied by density functional theory (DFT) and conventional transition-state theory (CTST) calculations.

本数据集收录了1,3,5-三甲基苯过氧自由基（1,3,5-TMB BPR）与OH自由基发生的大气反应的反应机理及动力学数据，相关研究通过密度泛函理论（DFT）与传统过渡态理论（CTST）计算完成。