High pressure structural behaviour of 5,5′-bitetrazole-1,1′-diolate based energetic materials: a comparative study from first principles calculations-Reference-Cited by-同舟云学术

High pressure structural behaviour of 5,5′-bitetrazole-1,1′-diolate based energetic materials: a comparative study from first principles calculations

Published:2020 Issue:42 Volume:10 Page:24867-24876
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Moses Abraham B.¹²³⁴^ORCID

Affiliation:

1. Advanced Centre of Research in High Energy Materials (ACRHEM)

2. University of Hyderabad

3. Hyderabad-500046

4. India

Abstract

We report the high pressure structural and vibrational properties of 5,5′-bitetrazole-1,1′-diolate based energetic ionic salts via dispersion-corrected density functional theory calculations.

Funder

Defence Research and Development Organisation

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA04782A

Reference71 articles.

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5. Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives

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