A Facile Method for Assessing the Change in Detonation Properties during Chemical Functionalization: The Case of NH<sub>2</sub>→NHNO<sub>2</sub> and NH<sub>2</sub>→=N<sup>+</sup>=N<sup>−</sup> Conversions

A simple and fast procedure for estimation of the effect of chemical functionalization on the change in detonation properties of energetic materials is reported. The procedure consists of two levels. Computations at Level 1 can be performed with a pocket calculator. At Level 2, quantum-chemical calc...

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Bibliographic Details
Published in:Chemistry Proceedings
Main Author: Sergey Bondarchuk
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Subjects:
nitrogen-rich compound
energetic material
density functional theory
nitramine
diazo compound
Online Access:https://www.mdpi.com/2673-4583/12/1/48

Internet

https://www.mdpi.com/2673-4583/12/1/48

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