Theoretical study of fragmentation pathways and product distribution of deprotonated aspartic acid

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• 作者：Zu-xu Chen ; Hua Zhong ; ^{2002070@hlju.edu.cn} ; Hai-tao Yu ; ^{yuhaitao@hlju.edu.cn}
• 关键词：Deprotonated aspartic acid ; Fragmentation ; Theoretical computation ; Dissociation ; Potential energy profile
• 刊名：Computational and Theoretical Chemistry
• 出版年：2017
• 出版时间：1 January 2017
• 年：2017
• 卷：1099
• 期：Complete
• 页码：1-7
• 全文大小：2052 K
• 卷排序：1099

文摘

The NH3-loss pathway of [Asp-H]− is dominant as the temperature is lower than 719 K. The CO2-loss is the kinetically most favorable as the temperature is higher than 719 K. The H2O-loss pathway is less favorable than the NH3- and CO2-loss channels.