A flexible-molecule force field to model and study hexanitrohexaazaisowurtzitane (CL-20) – polymorphism under extreme conditions-Reference-Cited by-同舟云学术

A flexible-molecule force field to model and study hexanitrohexaazaisowurtzitane (CL-20) – polymorphism under extreme conditions

Published:2019 Issue:68 Volume:9 Page:39649-39661
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Bidault X.¹²³⁴^ORCID,Chaudhuri S.¹²³⁴

Affiliation:

1. Department of Civil and Materials Engineering

2. University of Illinois at Chicago

3. Chicago

4. USA

Abstract

The quantum-chemistry based force field developed by Smith and Bharadwaj is transferred to hexanitrohexaazaisowurtzitane (CL20), revealing pressure-induced alterations of ε-CL20.

Funder

Air Force Office of Scientific Research

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA07645J

Reference38 articles.

1. Synthesis of Polyazapolycyclic Caged Polynitramines

2. Putting the squeeze on energetic materials—structural characterisation of a high-pressure phase of CL-20

3. Pressure/temperature phase diagram of hexanitrohexaazaisowurtzitane

4. The thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, Part I

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