The mechanism determination of trimer and tetramer HCN for adenine formation in the gas phase of interstellar space

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• 作者：Abdelilah Benallou ^{abdo_benallou@yahoo.fr}
• 关键词：HCN isomer ; Trimer ; Tetramer ; Oligomerization ; Interstellar ; DFT
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：1101
• 期：Complete
• 页码：68-73
• 全文大小：2013 K
• 卷排序：1101

文摘

We theoretically studied the most favourable trimer and tetramer of HCN. We provided theoretical guidance for HCN trimer and tetramer mechanisms. Aminomalodinitrile and aminoimidazole carbonitrile are the most stable trimer and tetramer respectively. Trimer and tetramer formation is very difficult energetically in the gas phase.