[1] Junqing Yang, Gudan Zhang, Jianguo Zhang,Dong Chen, Qi Zhang, New perspectives on the laser initiation for metal tetrazine complexes: a theoretical study, Physical Chemistry Chemical Physics, 2022, 24, 305-312.

[2] Junqing Yang, Lei Yin, Xuedong Gong, Valery P. Sinditskii, Jianguo Zhang, Origins of salt formation and cocrystallization: a combined experimental and theoretical study, Crystal Growth & Design, 2020, 20, 5834-5842. 

[3] Junqing Yang, Xin Yin, Le Wu, Jinting Wu, Jianguo Zhang, Michael Gozin, Alkaline and earth alkaline energetic materials based on a versatile and multifunctional 1-aminotetrazol-5-one ligand, Inorganic Chemistry, 2018, 57, 15105-15111.

[4] Junqing Yang, Xuedong Gong, Haozheng Mei, Tong Li, Jianguo Zhang, Michael Gozin, Design of zero oxygen balance energetic materials on the basis of Diels-Alder chemistry, The Journal of Organic Chemistry, 2018, 83, 14698-14702. 

[5] Junqing Yang, Guixiang Wang, Xuedong Gong, Jianguo Zhang, High-pressure behavior and Hirshfeld surface analysis of nitrogen-rich materials: triazido-s-triazine (TAT) and triazido-s-heptazine (TAH), Journal of Materials Science, 2018, 53, 15977-15985. 

[6] Junqing Yang, Guixiang Wang, Xuedong Gong, Jianguo Zhang, Yan Alexander Wang, High-energy nitramine explosives: A design strategy from linear to cyclic to caged molecules, ACS Omega, 2018, 3, 9739-9745. 

[7] Junqing Yang, Xuedong Gong, Guixiang Wang, Density functional theory and molecular dynamic investigations on the energetic and mechanical properties of nitrocellose/nitroglycerin/pentaerythritol diazido dinitrate composites, Polymer Composites, 2017, 38, 192-198. 

[8] Junqing Yang, Guixiang Wang, Xuedong Gong, Theoretical design and characterization on the fluorinated nitrophenyl azidotriazoles, Molecular Simulation, 2017, 43, 183-188. 

[9] Junqing Yang, Xuedong Gong, Guixiang Wang, Exploring aliphatic nitro azides for plasticizers: A combined DFT and MD investigation, RSC advances, 2015, 5, 12843-12848. 

[10] Junqing Yang, Xuedong Gong, Guixiang Wang, 1H/2H and azide/tetrazole isomerizations and their effects on the aromaticity and stability of azido triazoles, RSC advances, 2015, 5, 9503-9509. 

[11] Junqing Yang, Xuedong Gong, Guixiang Wang, Compatibility and mechanical properties of BAMO–AMMO/DIANP composites: A molecular dynamics simulation, Computational Materials Science, 2015, 102, 1-6. 

[12] Junqing Yang, Xuedong Gong, Guixiang Wang, Xiaoan Wei, Comparing the performance of aliphatic azido nitramines, nitrate esters, and nitro compounds: Theoretical design and investigation, Canadian Journal of Chemistry. 2015, 93, 1232-1238.

[13] Junqing Yang, Xuedong Gong, Guixiang Wang, A promising azido nitrate ester plasticizer for propellant, Computational Materials Science, 2015, 110, 71-76. 

[14] Junqing Yang, Xuedong Gong, Guixiang Wang, Structure, energetic performance, and decomposition mechanism of four azidoazoles, Structural Chemistry, 2015, 26, 1077-1082. 

[15] Junqing Yang, Xuedong Gong, Guixiang Wang, Design of new aliphatic azido nitro compounds as plasticizer: an initial exploration on AFCTEE (1-azido-formic acid 1, 1, 1-trinitro-ethyl ester), Canadian Journal of Chemistry, 2015, 93, 690-695. 

[16] Junqing Yang, Xueli Zhang, Pin Gao, Xuedong Gong, Guixiang Wang, Molecular dynamics and dissipative particle dynamics simulations of miscibility and mechanical properties of GAP/DIANP blending systems, RSC advances, 2014, 4, 41934-41941. 

[17] Junqing Yang, Xueli Zhang, Pin Gao, Xuedong Gong, Guixiang Wang, Exploring highly energetic aliphatic azido nitramines for plasticizers, RSC advances, 2014, 4, 53172-53179. 

[18] Junqing Yang, Xuedong Gong, Guixiang Wang, Theoretical studies on the plasticizing effect of DIANP on NC with various esterification degrees, Computational Materials Science, 2014, 95, 129-135. 

[19] Junqing Yang, Guixiang Wang, Fang Wang, Xuedong Gong, An improved approach for predicting the density of azido compounds, Molecular Simulation, 2014, 40, 491-497. 

[20] Junqing Yang, Hua Yan, Xueli Zhang, Guixiang Wang, and Xuedong Gong, A theoretical prediction of the molecular and electronic structures, thermodynamic properties, and stability of 1, 3-diazido-2-methyl-2-nitropropane (DAMNP), Structural Chemistry, 2014, 25, 931-940. 

[21] Junqing Yang, Hua Yan, Guixiang Wang, Xueli Zhang, Tianyi Wang, Xuedong Gong, Computational investigations on the substituent effects of -N₃, -NF₂, -NO₂, and -NH₂ on the structure, sensitivity and detonation properties of N, N’-azobis(1, 2, 4-triazole), Journal of Molecular Modeling, 2014, 20, 2148. 

[22] Junqing Yang, Xuedong Gong, Guixiang Wang, A theoretical study on the stability and intramolecular interaction of 5-nitrotetrazolates with the DFT and DFT-D methods, Journal of Theoretical & Computational Chemistry, 2014, 13, 1450044. 

[23] Junqing Yang, Xuedong Gong, Guixiang Wang, Structure, aromaticity, stability, and energetic performance of the analogues and derivatives of s-heptazine, Journal of Molecular Modeling, 2014, 20, 2379.

[24] Junqing Yang, Xuedong Gong, Guixiang Wang, A theoretical study of 3, 5-diazido-1, 2, 4-triazole: the role of the hydrogen bonding interaction in stabilizing the molecular system. Canadian Journal of Chemistry, 2014, 92, 896-903

[25] Junqing Yang, Fang Wang, Jianying Zhang, Guixiang Wang, Xuedong Gong, A theoretical study on 1, 5-diazido-3-nitrazapentane (DANP) and 1, 7-diazido-2, 4, 6-trinitrazaheptane (DATNH): molecular and crystal structures, thermodynamic and detonation Properties, and pyrolysis mechanism, Journal of Molecular Modeling, 2013, 19, 5367.