Less-Dominant Resonance Configuration of Propargyl Radical Leads to a Growth Mechanism for Polycyclic Aromatic Hydrocarbons that Preserves the Cyclopenta Ring

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DOI:10.1021/jacs.4c15155
作者：Jinyang Zhang, Jiao Gao, Hong Wang, Jiwen Guan, Guangxian Xu, Lili Xing, Donald G. Truhlar, Zhandong Wang
文献类型：期刊论文
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American Chemical Society (ACS)

Abstract：Understanding the growth of polycyclic aromatic hydrocarbons (PAHs) is essential for combustion, astrochemistry, and carbon-based nanomaterial synthesis. This study presents theory-guided ex

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