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One paper on the pyrolysis mechanism of phenolic resin was published online

发布时间:2017-02-08
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发布时间:
2017-02-08
文章标题:
One paper on the pyrolysis mechanism of phenolic resin was published online
内容:

Yesterday, one paper titled as ‘Initial reaction mechanism between HO· and bisphenol-F: Conformational dependence and the role of nonbond interactions’ was published online in the International Journal of Quantum Chemistry, one of Wiley journals. The first author of this paper is Mr. Cheng Bian, a doctoral candidate student of RGFP.
      This paper will be published in the Issue 6 of this year, as the cover paper.

 

 

 

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RGFP关于酚醛树脂的热裂解机理的论文即将刊登于Int. J. Quantum Chem

 

日前,以博士研究生边城同学为第一作者的论文在Wiley旗下的International Journal of Quantum Chemistry在线出版,论文题目为Initial reaction mechanism between HO· and bisphenol-F: Conformational dependence and the role of nonbond interactions。该工作采用密度泛函理论研究了HO·与双酚F(BPF)的初期反应机理,确认了超过80个加成和夺氢反应通道。研究表明,BPF的构象异构和分子内作用决定了“HO· + BPF”反应的产物分布,该研究结果有助于揭示BPF和酚醛树脂的热裂解机理。

该论文将作为封面文章发表于该期刊的2017年的第7期上。