The journal of physical chemistry. A
Theoretical Study on the Atmospheric and Combustion Chemistry of 4-Methylcyclohexanol Initiated by •OH Radicals: Mechanism, Kinetics, and Environmental Risks.
Wan-Ying Yu, Chang-Yun Zhou, Shuang Ni, Yi-Chen Wang, Feng-Yang Bai, Xiu-Mei Pan, Zhen Zhao
Published: 202510.1021/acs.jpca.5c05644
Abstract
4-Methylcyclohexanol (4MCHexOH) is widely utilized as a biofuel additive and chemical feedstock, yet its environmental fate and potential risks remain poorly understood. In this study, density functional theory combined with multistructural variation…
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