Towards the low-sensitive and high-energetic co-crystal explosive CL-20/TNT: from intermolecular interactions to structures and properties-Reference-Cited by-同舟云学术

Towards the low-sensitive and high-energetic co-crystal explosive CL-20/TNT: from intermolecular interactions to structures and properties

Published:2018 Issue:25 Volume:20 Page:17253-17261
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Xiu-Qing¹²³⁴⁵^ORCID,Yuan Jiao-Nan¹²³⁴⁵,Selvaraj Gurudeeban⁶⁷⁸⁵^ORCID,Ji Guang-Fu¹²³⁴⁵,Chen Xiang-Rong⁹¹⁰¹¹⁵,Wei Dong-Qing⁶⁷⁸⁵¹²

Affiliation:

1. National Key Laboratory for Shock Wave and Detonation Physics Research

2. Institute of Fluid Physics

3. Chinese Academy of Engineering Physics

4. Mianyang 621999

5. China

6. College of Biological Engineering

7. Henan University of Technology

8. Zhengzhou

9. College of Physical Science and Technology

10. Sichuan University

11. Chengdu 610064

12. State Key Laboratory of Microbial Metabolism and College of Life Sciences

Abstract

Employing molecular dynamic (MD) simulations and solid-state density functional theory (DFT), we carried out thorough studies to understand the interaction-structure–property interrelationship of the co-crystal explosive 1 : 1 CL-20 : TNT.

Funder

National Natural Science Foundation of China

China Academy of Engineering Physics

Beijing Institute of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP01841C

Reference50 articles.

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3. Simple determination of performance of explosives without using any experimental data

4. What is a co-crystal?

5. Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine

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