Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis-Reference-Cited by-同舟云学术

Triggering the mechanism of the initial reaction of energetic materials under pressure based on Raman intensity analysis

Published:2023 Issue:7 Volume:25 Page:5685-5693
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zheng Wei¹,Liu Qi-Jun¹^ORCID,Liu Fu-Sheng¹,Liu Zheng-Tang²

Affiliation:

1. Bond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, People's Republic of China

2. State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072, People's Republic of China

Abstract

The Raman intensity and other stoichiometric calculations of nitromethane (NM) and 2-nitrimino-5-nitro-hexahydro-1,3,5-triazine (NNHT) have been made by using first-principles density functional theory.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP06012D

Reference55 articles.

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2. Hirshfeld Surface Method and Its Application in Energetic Crystals

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