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Thermal decomposition regulated by the regioisomerism effect in high-nitrogen azole-based energetic materials

https://doi.org/10.2139/ssrn.5429728
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Regioisomeric 3,5-di(nitropyrazolyl)-1,2,4-oxadiazoles and their energetic properties
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Visualization Analysis of Weak Interactions in Chemical Systems
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The interface interaction and thermal sensitivity of nitrogen-rich energetic co-particles: A reactive molecular dynamics simulation study
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Theoretical design of nitrogen-rich cages for energetic materials
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Functionalization of fused imidazole-oxadiazole, triazole-oxadiazole and tetrazole-oxadiazole skeletons: Search for stable and potential energetic materials
inferredcites →https://doi.org/10.1016/j.comptc.2024.114722openalex-snapshot
Impact of regioisomerism on unimolecular decomposition reactions of energetic materials: Quantum chemistry modeling of ICM-103 and NAPTO
inferredcites →https://doi.org/10.1016/j.psep.2022.09.045openalex-snapshot
Thermal decomposition characteristics and runaway boundary conditions of HATO at adiabatic and high pressure situations
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Ab initio, DFT calculation and vibrational analysis of 2,4,6-trinitrotoluene
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Theoretical Study on the Key Influence of Ionic Liquid on the Synthesis Method of HMX by DPT
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Reexamination of NICSπ,zz: Height Dependence, Off-Center Values, and Integration
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Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance
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Promising Thermally Stable Energetic Materials with the Combination of Pyrazole–1,3,4-Oxadiazole and Pyrazole–1,2,4-Triazole Backbones: Facile Synthesis and Energetic Performance
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Approaching the Thermostability Limit of Nitrogen-Rich Heterocyclic Perchlorate-Based Energetic Materials
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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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Multicenter Bond Indices As a New Means for the Quantitative Characterization of Homoaromaticity
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Multi-energetic group synergy driven design and synthesis of [1,2,4]triazolo[5,1- c ][1,2,4]triazine-fused energetic compounds
inferredcites →https://doi.org/10.1039/d3ce00647fopenalex-snapshot
Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials
inferredcites →https://doi.org/10.1039/d3ta06702eopenalex-snapshot
Bionic inspired multifunctional modular energetic materials: an exploration of new generation of application-oriented energetic materials
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3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material
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Isomer-driven pyrazole frameworks: structural and zwitterionic insights for advanced energetics
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