Sulfur in motion: bridging chemistry and performance in next-generation energetic materials

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Combination of 5-amino-4-nitro-1,2-dihydro-3H-pyrazol-3-one and azine frameworks for insensitive, heat-resistant energetic materials

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Advancing energy safety via stepwise nucleophilic substitution on tetrazine

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Theoretical studies on dynamic properties and intermolecular interactions of 2,4-dinitroimidazole crystals with different impurity defects

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Engineering bistetrazoles: (E)-5,5′-(ethene-1,2-diyl)bis(1H-tetrazol-1-ol) as a new planar high-energy-density material

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Thermal stability of azole-rich energetic compounds: their structure, density, enthalpy of formation and energetic properties

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Phys. Chem. Chem. Phys., 2023, 25, 18523
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Linking polynitro hexaazaisowurtzitane cagesviaanN,N'-methylene bridge: a promising strategy for designing energetic ensembles of CL-20 derivatives and adjusting their properties

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A symmetric cascade of dinitrotriazine and dinitropyrimidine rings on a central triazine core: computational investigation of probable heat-resistant energetic materials

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Assembly of three oxadiazole isomers toward versatile energetics

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J. Mater. Chem. A, 2023, 11, 23228
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Synthesis and detonation performance of novel tetrazolyl–triazine nitrogen-rich energetic materials

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Bifunctional Nitrogen‐Rich Heterocyclic Compounds: Synthesis, Photoluminescence and Energetic Properties

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Chemistry An Asian Journal, 2024, 19
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Quantum-Chemical Calculations of the Enthalpy of Formation for 5/6/5 Tricyclic Tetrazine Derivatives Annelated with Nitrotriazoles

V. M. Volokhov, V. V. Parakhin, E. S. Amosova, A. V. Volokhov, D. B. Lempert and T. S. Zyubina

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Energetic 1,2,4-oxadiazoles: synthesis and properties

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Elucidation of the influence of trinitro-diazinotriazine isomerism on the energetic properties and stability: Insights from DFT approach

Kalpana Sharma, Rimpi Devi, Vikas D. Ghule and Srinivas Dharavath

Computational and Theoretical Chemistry, 2024, 1241, 114931
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Synthesis and Crystal Structure of 3-(4-Cyano-3-nitro-1H-pyrazol-5-yl)-4-nitrofurazan: Comparison of the Influence of the NO2 and CN Groups on Crystal Packing and Density

Kyrill Yu. Suponitsky and Kirill V. Strizhenko

Molbank, 2022, 2023, M1533
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Study on the adsorption mechanism of CL-20 in waste acid by silicic acid: adsorption model and DFT calculation

Yunfeng Tan, Shengqiang Ma, Nengsheng Liu, Xintao Wang, Chenxi Li, Jinmao Ma, Kun Wu, Mohe Zhang, Jinxin Liu, Jianwei Song, Jiangzhou Qin, Quanlin Zhao and Zhengfang Ye

Environmental Research, 2025, 277, 121595
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Energetic [1,2,5]oxadiazolo [2,3-a]pyrimidin-8-ium Perchlorates: Synthesis and Characterization

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Molecules, 2022, 27, 8443
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Establishing the Analogy between Hydrates and Peroxosolvates: Cambridge Structural Database Analysis of Pyridyl Hydrates Yields New Peroxosolvates

Taylor A. Bramlett, Leila M. Foroughi and Adam J. Matzger

Crystal Growth & Design, 2023, 23, 4180
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Detonation properties and sensitivities of a series of -NHNH-/-N = N- bridged tetrazole-based energetic materials

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Molecular Physics, 2024, 122
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A Stabilized Polynitro-Substituted Energetic Compound Enabled by Enhanced Conjugation in a 1,2,3–2H-Triazole/1,2,4-Triazole Framework

Yu Sha, Miao Li, Jing Liu, Yuji Liu, Wei Huang, Guangbin Cheng and Yongxing Tang

J. Org. Chem., 2026, 91, 177
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Quantum-chemical calculations of the enthalpy of formation for 5/6/5 tricyclic tetrazine derivatives annelated with nitrotriazoles

V. M. Volokhov, V. V. Parakhin, E. S. Amosova, A. V. Volokhov, D. B. Lempert and T. S. Zyubina

Himičeskaâ fizika, 2024, 43, 13
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Lantern-inspired cage frameworks: Translating macroscopic architecture into molecular design of energetic materials

Dongrun Tang, Jiagui Yan, Guanchao Lan, Shangbiao Feng, Yunlu Li, Lizhen Chen and Jianlong Wang

Computational and Theoretical Chemistry, 2026, 1258, 115691
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Pressure-induced hydrogen bonds reconstruction of energetic material 3,6-dihydrazino-1,2,4,5-tetrazine: A DFT study

Zhi-ming Xie, Ting-wei Wang, Bao-long Kuang, Chao Zhang and Jian-Guo Zhang

Chemical Physics Letters, 2023, 824, 140572
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Assessment of electrostatic discharge sensitivity of nitrogen-rich heterocyclic energetic compounds and their salts as high energy-density dangerous compounds: A study of structural variables

Mohammad Hossein Keshavarz, Sedigheh Heydari Bani, Reza Bakhtiari and Seyyed Hesamodin Hosseini

Defence Technology, 2024, 39, 15
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Self-Assembly Method for Synthesizing High-Dimensional EMOFs with High Stability and Laser Response

Jinhao Zhang, Zhiyuan Jin, Wenjia Hao, Liqiong Luo, Quancheng Liu, Hu Deng, Zhicheng Guo, Juan Shen, Rufang Peng and Bo Jin

Inorg. Chem., 2024, 63, 12498
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A Computational Renaissance in High-Energy Density Materials (HEDMs) Research

Haixiang Gao, Jane S. Murray and Jean’ne M. Shreeve

Chem. Rev., 2025, 125, 10342
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Theoretical investigation on heats of formation, detonation properties and sensitivities of TANPy based energetic materials

Liu Wenjun, Kang Xiaorui, Guo Shuqi, Qin Chengzhen, Jin Xinghui, Wang Yonggang and Zhou Jianhua

Chemical Physics Letters, 2024, 845, 141298
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Electrochemically facilitated synthesis of 3,3′-diamino-4,4′-azofurazan (DAAF) catalyzed by reduced graphene oxide (rGO): Enhanced efficiency and mechanistic insights

Qi-zhen Zhang, Bo-zhong Pi, Jun-hong Chen, Ming-hao Bao, Chang-kun Song, Jian-yong Xu, He Cheng, Chun-pei Yu and Wen-chao Zhang

Energetic Materials Frontiers, 2025
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Exposed Facets and Surface Properties of Highly Explosive RDX Studied by the Crystal-Face-Indexing Method and Theoretical Calculations

Liyuan Wei, Yiru Chen, Yongjie Li, Yiyi Xiao, Mi Yan, Jinkun Guo, Xianggui Xue, Qilong Yan, Yu Liu and Shiliang Huang

Crystal Growth & Design, 2024, 24, 3632
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Fabrication of Low‐Dimensional Nitrogen‐Rich Organic–Inorganic Hybrid Halide Perovskites and Their High Catalytic Efficiency for Thermal Decomposition of Ammonium Perchlorate

Tingyan Zhang, Liping Jiang, Yanyan Wang, Guofang Zhang and Ziwei Gao

Adv Funct Materials, 2025
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Efficient synthesis of nitrofurazans using HOF • MeCN

A. B. Sheremetev

Russ Chem Bull, 2022, 71, 1818
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Introduction of an N-Amino Group onto 4-(Tetrazol-5-yl)-5-nitro-1,2,3-triazole: A Strategy for Enhancing the Density and Performance of Energetic Materials

Xun Huang, Pinxu Zhao, Haifeng Huang and Jun Yang

Synlett, 2024, 35, 1978
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Advances in the synthesis of 1,2,3-triazole based energetic compounds: A review

Bibo Li, Zhongchao Li, Xinghui Liu, Jianlong Wang, Yunlu Li, Shangbiao Feng and Ping Yin

Defence Technology, 2026
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Study on the decomposition and energy release mechanism of energetic compound 4,4′- (triazol-1-en-1,3-diyl) bis (1,2,5-oxadiazole-3-amine) under thermal stimulation: -N = N-NH- dissociation-dominated energy release pathway

Jin Zhu, Qixuan Du, Shuyue Xu, Xiaowei Wu, Fang Li and Hua Qian

Journal of Analytical and Applied Pyrolysis, 2026, 196, 107700
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Fabrication, Characterization, and Performance Evaluation of Thermally Stable [5,6]-Fused Bicyclic Energetic Materials

Qamar-un-Nisa Tariq, Saira Manzoor, Xiang Ling, Wen-Shuai Dong, Zu-Jia Lu, Ting-Wei Wang, Meiqi Xu, Muhammad Adnan Younis, Qiyao Yu and Jian-Guo Zhang

ACS Appl. Mater. Interfaces, 2024, 16, 52613
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Synthesis, thermal behaviors, and energetic properties of asymmetrically substituted tetrazine-based energetic materials

Shenghui Wang, Xiang Chen, Yuankai Chen, Hai Nan, Yuanyuan Li and Haixia Ma

Front. Chem., 2022, 10
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4,4′-Azobis(1,2,4-triazole): A Versatile Molecular Scaffold to Develop Tailor-Made Energetic Materials

Saona Seth and Chayanika Pathak

Crystal Growth & Design, 2023, 23, 4669
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Synergistic reaction kinetics of Pt single atoms/MoS2 and nanoparticles for energy-saving hydrogen production assisted by green electrosynthesis of azotetrazolate compound

Yuqiang Ma, Zihang Zhao, Cong Zhang, Yijing Zhang, Chi Zhang, Jiachen Li, Ming Xu and Haixia Ma

Chemical Engineering Journal, 2023, 475, 146303
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Straightforward and Efficient Protocol for the Synthesis of Pyrazolo [4,3-b]pyridines and Indazoles

Vladislav V. Nikol’skiy, Mikhail E. Minyaev, Maxim A. Bastrakov and Alexey M. Starosotnikov

IJMS, 2023, 24, 1758
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DFT investigation on detonation properties and sensitivities of bridged triazolo[4,5‐d]pyridazine based energetic materials

Yao Shengnan, Bai Shaochuan, Jin Xinghui, Zhou Jianhua and Hu Bingcheng

Int J of Quantum Chemistry, 2024, 124
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Integration of dinitropyrazole and 1,2,4-triazole: Unlocking initiator explosives through balancing energy and stability

Guang Wu, Linan Zhang, Lei Zhao and Qiuhan Lin

Journal of Molecular Structure, 2026, 1362, 145743
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Recent synthetic efforts towards high energy density materials: How to design high-performance energetic structures?

Jing Zhou, Junlin Zhang, Bozhou Wang, Lili Qiu, Ruoqian Xu and Aleksei B. Sheremetev

FirePhysChem, 2022, 2, 83
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Thermal decomposition kinetics and compatibility of NH3OHN5

Xiang Chen, Chenguang Zhu, Bingcheng Hu and Chong Zhang

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Intramolecular Hydrogen Bonds Assisted Construction of Planar Tricyclic Structures for Insensitive and Highly Thermostable Energetic Materials

Yubing Liu, Jie Li, Jinxiong Cai, Xun Zhang, Lu Hu, Siping Pang and Chunlin He

IJMS, 2024, 25, 3910
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Polyvalent Ionic Energetic Salts Based on 4-Amino-3-hydrazino-5-methyl-1,2,4-triazole

Qiuhan Lin, Mingmin Zhang, Linan Zhang, Mimi Zhu, Kaiyi Qin and Pengcheng Wang

IJMS, 2023, 24, 13136
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Bistriazolotriazole-tetramine: commendable energetic moiety and cation

Rimpi Devi, Kalpana Sharma, Vikas D. Ghule and Srinivas Dharavath

J Mol Model, 2024, 30
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Method and apparatus for automatic high-throughput synthesis of energetic salts

Qiuxiao Wang, Tao Wang, Yifei Zhou and Haixiang Gao

J. Phys.: Conf. Ser., 2023, 2478, 032017
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High‐pressure studies of Mn2(C2H6N6)4(NO3)4·2H2O by Raman scattering, infrared absorption, and synchrotron X‐ray diffraction

Jie Ding, Jianguo Zhang, Zhongze Pu, Junru Jiang, Zhijun He, Jian Wang and Hongyang Zhu

J Raman Spectroscopy, 2024, 55, 914
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A General Model of Impact Sensitivity for Nitrogen‐Rich Energetic Materials: A Combined Incremental Theory and Genetic Function Approximation Study

Zhixiang Zhang, Yiding Ma, Chao Chen, Sergey V. Bondarchuk and Yingzhe Liu

ChemPhysChem, 2024, 25
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Chuan Li, Chenghui Wang, Ming Sun, Yan Zeng, Yuan Yuan, Qiaolin Gou, Guangchuan Wang, Yanzhi Guo and Xuemei Pu

J. Chem. Inf. Model., 2022, 62, 4873
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