Physical chemistry chemical physics : PCCP
H-abstraction reactions of pentacyclic carbonates: a computational kinetic study.
Zhi-Min Wang, Ming-Xia Liu, Du Wang, Cheng-Yin Ye, Wen-Jun Zhou, Ling-Nan Wu, Zhen-Yu Tian
Published: 202510.1039/d5cp02949j
Abstract
Theoretical studies of H-abstraction reactions were conducted for typical solvents in the battery industry, such as ethylene carbonate (EC), propylene carbonate (PC), 2,3-butylene carbonate (23BC), and 1,2-butylene carbonate (12BC), to aid in the fut…
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