DFT Studies on the Four Polymorphs of Crystalline CL-20 and the Influences of Hydrostatic Pressure on ε-CL-20 Crystal-Reference-Cited by-同舟云学术

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

Published:2007-02-03 Issue:8 Volume:111 Page:2090-2097
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Xu Xiao-Juan¹,Zhu Wei-Hua¹,Xiao He-Ming¹

Affiliation:

1. Institute for Computation in Molecular and Materials Science and Department of Chemistry, Nanjing University of Science and Technology, Nanjing 210094, People's Republic of China, and Department of Chemistry, Yancheng Teachers' College, Yancheng 224002, Jiangsu Province, People's Republic of China

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp066833e

Reference42 articles.

1. Nielsen, A. T. Nissan, P. A.Polynitropolyaza caged explosives. Part 5; Naval Weapon Center Technical Publication; 1986; p 6692.

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

3. Xiao, H. M.Structures and Properties of Energetic Compounds; National Defense and Industrial Press: Beijing, 2004; p 72.

4. The thermal stability of the polymorphs of hexanitrohexaazaisowurtzitane, part II

Cited by 152 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Some CL-20 based energetic cocrystals - A review;Earthline Journal of Chemical Sciences;2024-05-30

2. Theoretical investigation to predict properties of CL-20/HMX cocrystal explosive with adulteration crystal defect: a molecular dynamics (MD) study;Theoretical Chemistry Accounts;2024-05-22

3. Periodic DFT study of structural transformations of cocrystal CL-20/MMI under high pressure;Journal of Molecular Modeling;2024-04-05

4. Finite temperature string by K-means clustering sampling with order parameters as collective variables for molecular crystals: application to polymorphic transformation between β-CL-20 and ε-CL-20;Physical Chemistry Chemical Physics;2024

5. First-principles study on the structure and stability of (H2dabco)[K(ClO4)3] under hydrostatic pressure;Acta Physica Sinica;2024