Insight into the roles of small molecules in CL-20 based host–guest crystals: a comparative DFT-D study-Reference-Cited by-同舟云学术

Insight into the roles of small molecules in CL-20 based host–guest crystals: a comparative DFT-D study

Published:2020 Issue:37 Volume:22 Page:6228-6238
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Wang Kun¹²³⁴⁵,Zhu Weihua¹²³⁴⁵^ORCID

Affiliation:

1. Institute for Computation in Molecular and Materials Science

2. School of Chemical Engineering

3. Nanjing University of Science and Technology

4. Nanjing 210094

5. China

Abstract

The host–guest inclusion strategy has emerged as a promising method for developing advanced energetic materials and has been successfully applied to a CL-20 crystal.

Funder

National Natural Science Foundation of China

Science Challenge Project

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CE/D0CE00853B

Reference42 articles.

1. A review of advanced high performance, insensitive and thermally stable energetic materials emerging for military and space applications

2. DFT Studies on the Four Polymorphs of Crystalline CL-20 and the Influences of Hydrostatic Pressure on ε-CL-20 Crystal

3. Synthesis of polyazapolycyclic caged polynitramines

4. The Solubility of ?-CL-20 in Selected Materials

5. Compressive Shear Reactive Molecular Dynamics Studies Indicating That Cocrystals of TNT/CL-20 Decrease Sensitivity

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