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1

Synthesis and First Principles Investigation of HMX/NMP Cocrystal Explosive

Lin, He, Zhu, Shun-Guan, Zhang, Lin, Peng, Xin-Hua, LI, Hong-Zhen

Journal:

Journal of Energetic Materials

Year:

2013

Language:

english

File:

PDF, 508 KB

english, 2013

2

Theoretical Investigation of Pyridine Derivatives as High Energy Materials

Lin, He, Chen, Peng-Yuan, Zhu, Shun-Guan, Li, Kun, Li, Hong-Zhen, Peng, Xin-Hua

Journal:

Journal of Energetic Materials

Year:

2014

Language:

english

File:

PDF, 466 KB

english, 2014

3

Theoretical investigation of a novel high density cage compound 4,8,11,14,15–pentanitro-2,6,9,13–tetraoxa-4,8,11,14,15-pentaazaheptacyclo[5.5.1.13,11. 15,9] pentadecane

Lin, He, Zhu, Shun-guan, Zhang, Lin, Peng, Xin-hua, Chen, Peng-yuan, Li, Hong-zhen

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 481 KB

english, 2013

4

Theoretical studies on the thermodynamic properties, densities, detonation properties, and pyrolysis mechanisms of trinitromethyl-substituted aminotetrazole compounds

Lin, He, Chen, Peng-Yuan, Zhu, Shun-Guan, Zhang, Lin, Peng, Xin-Hua, Li, Kun, Li, Hong-Zhen

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 258 KB

english, 2013

5

Computational study of pyrazine-based derivatives and their N-oxides as high energy materials

Lin, He, Chen, Peng-Yuan, Zhu, Shun-Guan, Zhang, Lin, Peng, Xin-Hua, Li, Hong-Zhen

Journal:

Journal of Physical Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

6

Theoretical design of pyrazine-based high energy materials

Lin, He, Chen, Peng-Yuan, Zhu, Shun-Guan, Zhang, Lin, Peng, Xin-Hua, Li, Kun, Li, Hong-Zhen

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 1.06 MB

english, 2013

7

Synthesis, characterization, AIM and NBO analysis of HMX/DMI cocrystal explosive

Lin, He, Zhu, Shun-Guan, Li, Hong-Zhen, Peng, Xin-Hua

Journal:

Journal of Molecular Structure

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

8

Computational study on the crystal structure, thermodynamic properties, detonation performance and pyrolysis mechanism of a novel high density cage compound 10-(5-nitrimino-1,2,3,4-tetrazol-1-yl)methyl-2,4,6,8,12-pentanitrohexaazaisowurtzitane

He Lin, Shun-Guan Zhu, Lin Zhang, Xin-Hua Peng, Peng-Yuan Chen…

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 417 KB

english, 2013

9

Structure and detonation performance of a novel HMX/LLM-105 cocrystal explosive

Lin, He, Zhu, Shun-Guan, Li, Hong-Zhen, Peng, Xin-Hua

Journal:

Journal of Physical Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 320 KB

english, 2013

10

Ab initio studies of 1,3,5,7-tetranitro-1,3,5,7-tetrazocine/1,3-dimethyl-2-imidazolidinone cocrystal under high pressure using dispersion corrected density functional theory

Gu, Bang-Ming, Lin, He, Zhu, Shun-Guan

Journal:

Journal of Applied Physics

Year:

2014

Language:

english

File:

PDF, 1.37 MB

english, 2014

11

Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of HMX/NTO cocrystal explosive

Lin, He, Zhu, Shun-Guan, Zhang, Lin, Peng, Xin-Hua, Chen, Peng-Yuan, Li, Hong-Zhen

Journal:

International Journal of Quantum Chemistry

Year:

2013

Language:

english

File:

PDF, 517 KB

english, 2013

12

Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of CL-20/TEX cocrystal explosive

Chen, Peng-Yuan, Zhang, Lin, Zhu, Shun-Guan, Cheng, Guang-Bin

Journal:

Canadian Journal of Chemistry

Year:

2015

Language:

english

File:

PDF, 590 KB

english, 2015

13

Theoretical study of BTF/TNA cocrystal: Effects of hydrostatic pressure and temperature

Chen, Peng-yuan, Zhang, Lin, Zhu, Shun-guan, Cheng, Guang-bin

Journal:

Defence Technology

Year:

2015

Language:

english

File:

PDF, 1.76 MB

english, 2015

14

Synthesis, Characterization, Detonation Performance, and DFT Calculation of HMX/PNO Cocrystal Explosive

Lin, He, Chen, Jian-Fu, Zhu, Shun-Guan, Li, Hong-Zhen, Huang, Yong

Journal:

Journal of Energetic Materials

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

15

A DFT-D Study on Structural, Electronic, Thermodynamic, and Mechanical Properties of HMX/MPNO Cocrystal under High Pressure

Lin, He, Chen, Jian-Fu, Cui, Yu-Ming, Zhang, Zhen-Jiang, Yang, Dong-Dong, Zhu, Shun-Guan, Li, Hong-Zhen

Journal:

Journal of Energetic Materials

Year:

2016

Language:

english

File:

PDF, 1.84 MB

english, 2016

16

Role of intermolecular interaction in crystal packing: A competition between halogen bond and electrostatic interaction

Chen, Peng-Yuan, Zhang, Lin, Zhu, Shun-Guan, Cheng, Guang-Bin

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 2.42 MB

english, 2016

17

Molecular Dynamic Simulation and Density Functional Theory Insight into the Nitrogen Rich explosive 1,5-diaminotetrazole(DAT)

Ma, Peng, Pan, Yong, Jiang, Jun-cheng, Zhu, Shun-guan

Journal:

Procedia Engineering

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

18

Computational design of high energy density materials with zero oxygen balance: A combination of furazan and piperazine rings

Lin, He, Yang, Dong-Dong, Lou, Nan, Zhu, Shun-Guan, Li, Hong-Zhen

Journal:

Computational and Theoretical Chemistry

Year:

2018

Language:

english

File:

PDF, 1.07 MB

english, 2018

19

A Comparative Theoretical Study of Picric Acid and Its Cocrystals

Chen, Peng-Yuan, Zhang, Lin, Zhu, Shun-Guan, Cheng, Guang-Bin

Journal:

Year:

2015

Language:

english

File:

PDF, 1015 KB

english, 2015

20

Functionalized titanium nitride-based MXenes as promising host materials for lithium-sulfur batteries: A first principles study

Lin, He, Yang, Dong-Dong, Lou, Nan, Zhu, Shun-Guan, Li, Hong-Zhen

Journal:

Ceramics International

Year:

2018

Language:

english

File:

PDF, 3.76 MB

english, 2018

21

Defect engineering of black phosphorene towards an enhanced polysulfide host and catalyst for lithium-sulfur batteries: A first principles study

Lin, He, Yang, Dong-Dong, Lou, Nan, Wang, Ai-Li, Zhu, Shun-Guan, Li, Hong-Zhen

Journal:

Journal of Applied Physics

Year:

2019

Language:

english

File:

PDF, 4.53 MB

english, 2019

22

Dinitromethyl, fluorodinitromethyl derivatives of RDX and HMX as high energy density materials: a computational study

Lin, He, Zhu, Qing, Huang, Chuan, Yang, Dong-Dong, Lou, Nan, Zhu, Shun-Guan, Li, Hong-Zhen

Journal:

Structural Chemistry

Year:

2019

Language:

english

File:

PDF, 2.38 MB

english, 2019