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Updated: Jul 23, 2025

High-Pressure NMR Experiments for Detecting Protein Low-Lying Conformational States
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在高压下,富含的2,4,6-triazide-1,3,5-triazine的结构,振动和电子特性

Zhi-Ming Xie1, Ting-Wei Wang1, Yu-Bing Du2,3

  • 1State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, China.

Journal of molecular modeling
|July 19, 2023
PubMed
概括

在压缩下,2,4,6-triazide-1,3,5-triazine (TAT) 呈现结构变化,例如使azide 组变直并形成 C=N 网络. 这些转变会影响其电子带间隙,这对于高能量密度材料至关重要.

关键词:
2,4,6-三-1,3,5-三是一种在 DFT 方面,它是最重要的.高压的高压的高压.富含的化合物 富含的化合物

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