Initial Decomposition Mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under Shock Loading: ReaxFF Parameterization and Molecular Dynamic Study
Du, Lixiaosong, Jin, Shaohua, Nie, Pengsong, She, Chongchong, Wang, Junfeng
Published in Molecules (Basel, Switzerland) (09.08.2021)
Published in Molecules (Basel, Switzerland) (09.08.2021)
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Journal Article
A combined ReaxFF simulation and TG-MS study on the thermal decomposition mechanism of 5,5ʹ-dinitramino-3,3ʹ-bi[1,2,4-triazolate] carbohydrazide salt (CBNT)
Liu, Huanmin, she, Chongchong, Yang, Chunjin, Jin, Zhengrong, Tan, Xiaoyan, Chen, Kun
Published in Journal of thermal analysis and calorimetry (01.10.2023)
Published in Journal of thermal analysis and calorimetry (01.10.2023)
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Journal Article
Reactive molecular dynamics simulation of thermal decomposition for nano-FOX-7
She, Chongchong, Jin, Shaohua, Chen, Shusen, Li, Lijie, Shu, Qinghai, Chen, Yu, Wang, Junfeng, Wu, Nana, Chen, Minglei, Chen, Kun
Published in Applied physics. A, Materials science & processing (01.11.2021)
Published in Applied physics. A, Materials science & processing (01.11.2021)
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Journal Article
Coupling Effect of Non-Ignition Impact and Heat on the Decay of FOX-7
She, Chongchong, Chen, Kun, Chen, Minglei, Lu, Zhiyan, Wu, Nana, Li, Lijie, Wang, Junfeng, Jin, Shaohua
Published in Molecules (Basel, Switzerland) (26.11.2022)
Published in Molecules (Basel, Switzerland) (26.11.2022)
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Journal Article
Preparation, Thermal Behavior, and Conformational Stability of HMX/Cyclopentanone Cocrystallization
Tao, Yuting, Jin, Shaohua, Wang, Tongbin, She, Chongchong, Chen, Kun, Wang, Junfeng, Li, Lijie
Published in Crystals (Basel) (01.08.2024)
Published in Crystals (Basel) (01.08.2024)
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Journal Article
Density Functional Theory (DFT) Study on the Structures and Energetic Properties of Isomers of Tetranitro-bis-1,2,4-triazoles
Bao, Fang, Li, Yi, Liu, Wei, She, Chongchong, Chen, Kun, Li, Lijie, Jin, Shaohua
Published in ACS omega (11.08.2020)
Published in ACS omega (11.08.2020)
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Journal Article
Coalescence of Al2O3/Al, MgO/Mg, and MgO/Al two nanoparticles during combustion
She, Chongchong, Gao, Jiaming, Wang, Zhi, Jin, Shaohua, Chen, Minglei, Song, Liang, Chen, Kun
Published in Applied surface science (15.03.2024)
Published in Applied surface science (15.03.2024)
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Journal Article
Insights into the combustion mechanisms of turpentine oil based on ReaxFF molecular dynamics simulations
She, Chongchong, Zhang, Tiancheng, Gao, Jiaming, Wang, Zhi, Jin, Shaohua, Li, Lijie, Wang, Junfeng, Song, Liang, Chen, Pengwan, Chen, Kun
Published in Fuel (Guildford) (01.01.2025)
Published in Fuel (Guildford) (01.01.2025)
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Journal Article
Catalytic activity of graphene and hydroxy graphene nanosheets in the pyrolysis of CL-20 by ReaxFF-MD simulation
Gao, Jiaming, Chen, Kun, Guo, Donghui, Wang, Peng, Wang, Zhi, Jin, Shaohua, Li, Lijie, Wang, Junfeng, Song, Liang, She, Chongchong
Published in Applied surface science (01.02.2025)
Published in Applied surface science (01.02.2025)
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Journal Article
Study on combustion mechanism of methanol/nitromethane based on reactive molecular dynamics simulation
She, Chongchong, Wang, Manman, Gao, Jiaming, Wang, Zhi, Jin, Shaohua, Chen, Minglei, Song, Liang, Chen, Pengwan, Chen, Kun
Published in International journal of hydrogen energy (18.04.2024)
Published in International journal of hydrogen energy (18.04.2024)
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Journal Article
A computational strategy in consideration of the crystal surface structures for the crystal morphology prediction of energetic material
She, Chongchong, Chen, Kun, Jin, Shaohua, Li, Lijie, Chen, Shusen, Liu, Huanmin, Liu, Wei, Bao, Fang
Published in Chemical physics letters (16.12.2020)
Published in Chemical physics letters (16.12.2020)
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Journal Article
A combined ReaxFF simulation and TG-MS study on the thermal decomposition mechanism of 5,5E-dinitramino-3,3E-bi[1,2,4-triazolate] carbohydrazide salt
Liu, Huanmin, she, Chongchong, Yang, Chunjin, Jin, Zhengrong, Tan, Xiaoyan, Chen, Kun
Published in Journal of thermal analysis and calorimetry (01.10.2023)
Published in Journal of thermal analysis and calorimetry (01.10.2023)
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Journal Article
Excellent stability of Pd/mpg-C3N4 in catalytic hydrodebenzylation of 2,4,6,8,10,12-Hexabenzyl-2,4,6,8,10,12- hexaazaisowurtzitane (HBIW)
Liu, Wei, Li, Shengfu, She, Chongchong, Yang, Yeye, Chen, Shusen, Jin, Shaohua, Chen, Kun
Published in Applied catalysis. A, General (25.08.2021)
Published in Applied catalysis. A, General (25.08.2021)
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Journal Article
Bandgap Engineering for Photocatalytic Polymerization of 3, 4‐Ethylenedioxythiophene (EDOT) over Cs3BixSb(2‐x)Br9 Inverse Opals
Zhao, Siwei, Jin, Shaohua, Liu, Huanmin, Su, Youxin, Liu, Wei, Li, Shengfu, She, Chongchong, Li, Haonan, Chen, Kun
Published in ChemCatChem (22.03.2022)
Published in ChemCatChem (22.03.2022)
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Journal Article
Enhanced photodegradation of 3-nitro-1, 2, 4-triazol-5-one by FeCuO bimetallic catalyst supported on mesoporous carbon nitride
Li, Haonan, Zeng, Siyi, Jin, Shaohua, She, Chongchong, Wang, Junfeng, Li, Lijie, Chen, Kun
Published in Journal of environmental chemical engineering (01.12.2023)
Published in Journal of environmental chemical engineering (01.12.2023)
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Journal Article
Bandgap Engineering for Photocatalytic Polymerization of 3, 4‐Ethylenedioxythiophene (EDOT) over Cs 3 Bi x Sb (2‐x) Br 9 Inverse Opals
Zhao, Siwei, Jin, Shaohua, Liu, Huanmin, Su, Youxin, Liu, Wei, Li, Shengfu, She, Chongchong, Li, Haonan, Chen, Kun
Published in ChemCatChem (22.03.2022)
Published in ChemCatChem (22.03.2022)
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Journal Article
Application and application method of plasticizer
WAN XUEQIAN, WANG JUNFENG, GAO JIAMING, LI LIJIE, JIN SHAOHUA, SHE CHONGCHONG, CHEN KUN
Year of Publication 02.04.2024
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Year of Publication 02.04.2024
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