Comparative study on 1,2,3-triazole based azo- and triazene-bridged high-nitrogen energetic materials
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چکیده
منابع مشابه
Computational Study on the Energetic and Electronic Aspects of Tautomeric Equilibria in 5-methylthio-1,2,4-triazole
The main purpose of this research is to investigate computationally the tautomeric reaction pathway of 5-methyl-3-methylthio-1,2,4-triazole from the thermodynamical and mechanistical viewpoints. In this respect, density functional theory (DFT) in conjunction with the quantum theory of atoms in molecule (QTAIM) has been employed to model the energetic and electronic features of tautomeric mechan...
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ژورنال
عنوان ژورنال: Energetic Materials Frontiers
سال: 2021
ISSN: 2666-6472
DOI: 10.1016/j.enmf.2021.03.006