Theoretical predict structure and property of the novel CL-20/2,4-DNI cocrystal by systematic search approach

Theoretical predict structure and property of the novel CL-20/2,4-DNI cocrystal by systematic search approach

Cocrystallization integrates the merits of high energy and insensitivity between energetic molecules to obtain energetics with satisfying performance. However, how to obtain supramolecular synthons accurately and rapidly for predicting the structure and property of cocrystal remains a challenging pr...

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Bibliographic Details
Main Authors: Hao-jie Li, Jian-chao Liu, Li Yang, Zhen-zhan Yan, Yue-wen Lu, Ji-min Han, Xiao-ting Ren, Wei Li
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2022-06-01
Series:Defence Technology
Subjects:
CL-20
2,4-DNI
Cocrystal
Intermolecular interaction
Systematic search
Online Access:http://www.sciencedirect.com/science/article/pii/S2214914721000611

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http://www.sciencedirect.com/science/article/pii/S2214914721000611

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