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Updated: Sep 12, 2025

Author Spotlight: Functionalizing Metal-Organic Frameworks: Advancements, Challenges, and the Power of Post-Synthetic Ligand Exchange
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Published on: June 23, 2023

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1,3,5-triazine和1,2,4-triazole相关的能量衍生物的结构和特性,具有不同的能量功能组

Zikai Gao1, Zhihui Gu1, Mengjie Bao1

  • 1College of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.

Journal of molecular modeling
|August 5, 2025
PubMed
概括

研究人员通过连接三和三环来设计了49种新能源分子. 化合物A6-6显示出最佳的引爆特性,包括高能量和引爆速度,超过HMX.

关键词:
密度函数理论密度函数理论能量材料是一种能量材料.分子设计分子设计.量子化学是一种量子化学.在S-triazine中使用.

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