Molecular dynamics simulation and density functional theory insight into the cocrystal explosive of hexaazaisowurtzitane/nitroguanidine-Reference-Cited by-同舟云学术

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Molecular dynamics simulation and density functional theory insight into the cocrystal explosive of hexaazaisowurtzitane/nitroguanidine

Published:2015-10-13 Issue:2 Volume:116 Page:88-96
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Ding Xiong¹,Gou Rui-Jun¹,Ren Fu-De¹,Liu Fa¹,Zhang Shu-Hai¹,Gao Hong-Fei¹

Affiliation:

1. School of Chemical and Environmental Engineering; North University of China; Taiyuan 030051 China

Funder

11th Graduate Science and Technology Projects (Natural Science Project) (North University of China)

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference54 articles.

1. Supramolecular Chemistry—Scope and Perspectives Molecules, Supermolecules, and Molecular Devices(Nobel Lecture)

2. Cocrystals Definitions

3. Two Isostructural Explosive Cocrystals with Significantly Different Thermodynamic Stabilities

4. Improved Stability and Smart-Material Functionality Realized in an Energetic Cocrystal

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1. Theoretical study on the interaction between 3,4-dinitropyrazole and cyclotetramethylene tetranitramine;Monatshefte für Chemie - Chemical Monthly;2022-09-26

2. A DFT study on the structure activity relationship of the natural xanthotoxin-based pharmaceutical cocrystals;Journal of Molecular Modeling;2022-05-17

3. Study on the Cocrystallization Mechanism of CL-20/HMX in a Propellant Aging Process through Theoretical Calculations and Experiments;ACS Omega;2022-02-18

4. Molecular dynamics application of cocrystal energetic materials: A review;Nanotechnology Reviews;2022-01-01

5. Energetic alkylnitramine-functionalized pentanitro hexaazaisowurtzitanes: towards advanced less sensitive CL-20 analogues;Journal of Materials Chemistry A;2022

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