Compression Behavior and Vibrational Properties of New Energetic Material LLM-105 Analyzed Using the Dispersion-Corrected Density Functional Theory

Compression Behavior and Vibrational Properties of New Energetic Material LLM-105 Analyzed Using the Dispersion-Corrected Density Functional Theory

The 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a newly energetic material with an excellent performance and low sensitivity and has attracted considerable attention. On the basis of the dispersion-corrected density functional theory (DFT-D), the high-pressure responses of vibrational prope...

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Bibliographic Details
Main Authors: Tianming Li, Junyu Fan, Zhuoran Wang, Hanhan Qi, Yan Su, Jijun Zhao
Format: Article
Language:English
Published: MDPI AG 2021-11-01
Series:Molecules
Subjects:
high pressure
vibrational properties
energetic material
anisotropy
uniaxial compression
Online Access:https://www.mdpi.com/1420-3049/26/22/6831

Internet

https://www.mdpi.com/1420-3049/26/22/6831

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