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Computational investigation and screening of high-energy-density materials: Based on nitrogen-rich 1,2,4,5-tetrazine energetic derivatives

Zeng, LA; Jiang, YH; Wu, JT; Li, HB; Zhang, JG

Wu, JT; Li, HB (corresponding author), Southwest Univ Sci & Technol, Sch Mat Sci & Engn, Mianyang 621010, Sichuan, Peoples R China.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021; 121 (17):

Abstract

In this work, the geometric structure of thirty six 1, 2, 4, 5-tetrazine derivatives (FTT) were systematically studied by using the density functional......

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