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Journal of Molecular Modeling|April 30, 2026
Comparative study on structural and electronic response behaviors of three energetic materials containing tri-isomeric oxadiazole rings in electric fieldYang Zhu, Peng Zhang, YuQin Chu, et al.Zhonghua Wei Zhong Bing Ji Jiu Yi Xue|June 12, 2023
[Analysis of the treatment of a premature infant with critical coronavirus disease caused by the Omicron variant of SARS-CoV-2]Pingping Zhang, Yanting Guo, Yuqin Chu, et al.Journal of Molecular Modeling|April 1, 2025
The influence of external electric field on the structure of pentazole ionic saltPeng Zhang, YuQin Chu, Yang Zhu, et al.Journal of Molecular Modeling|July 6, 2026
Functional group effects on thermal stability of high-nitrogen fused-ring zwitterionic energetic materials: a DFT studyYuqin Chu, Peng Zhang, Yang Zhu, et al.Journal of Molecular Modeling|August 25, 2025
Electrostatic field modulation of high-nitrogen heterocycles: a computational study on energy and stabilityPeng Zhang, MengJie Bo, YuQin Chu, et al.Journal of Molecular Modeling|September 5, 2025
Effects of external electric fields on the stability and thermal decomposition pathways of triazole-triazine-based energetic materials: a case study of TTX and its derivativesYang Zhu, Zhihui Gu, Peng Zhang, et al.Journal of Molecular Modeling|June 5, 2026
Mechanism of external electric field modulating thermal decomposition of diphenyl azidophosphate: thermal safety assessment targeting electrostatic hazard riskPeng Zhang, Zhonglin Tang, Yuqin Chu, et al.Journal of Molecular Modeling|August 21, 2025
Quantum chemical calculations based on 4,5-di(1,2,4-oxadiazol-3-yl)-2H-1,2,3-triazole and 3,3' -(2H-1,2,3-triazole-4,5-diyl)-bis(1,2,4-oxadiazol-5(4H)-one) derivatives: a DFT studyYang Zhu, Peng Zhang, YuQin Chu, et al.Journal of Molecular Modeling|November 20, 2025
Quantum chemical study on the combination of (2H-1,2,3-triazole-4,5-diyl)bis(1,2,4-oxadiazole-3,5-diyl)bis(dinitromethane) anion with various cationsYang Zhu, Peng Zhang, YuQin Chu, et al.Journal of Molecular Modeling|April 1, 2025
Structure and properties of pentazole ionic saltsYang Zhu, Peng Zhang, YuQin Chu, et al.Pageof 2