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Theoretical study of a series of 1,2-diazete based trinitromethyl derivatives as potential energetic compounds
ContextExplosive properties of novel potential high energy density materials of a series of 1,2-diazete-based molecules with trinitromethyl...
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Toxicity of energetic nanomaterials assessed on L929 fibroblasts
The widespread use of energetic materials (EMs) has increased human exposure to these substances, and the potential toxicity of nano-sized EMs...
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Theoretical insight into different energetic groups on the performance of energetic materials 2,5,7,9-tetranitro-2,5,7,9-tetraazabicyclo[4,3,0]nonane-8-one
ContextEnergetic materials are a class of materials containing explosive groups or containing oxidants and combustibles. The optimization of...
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Bistriazolotriazole-tetramine: commendable energetic moiety and cation
ContextVarious 7H,7′H-[6,6′-bi[1,2,4]triazolo[4,3-b][1,2,4]triazole]-3,3′,7,7′-tetramine ( A ) based nitrogen-rich energetic salts were designed and...
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Force field-inspired transformer network assisted crystal density prediction for energetic materials
Machine learning has great potential in predicting chemical information with greater precision than traditional methods. Graph neural networks (GNNs)...
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Bio-inspired designing strategy and properties of energetic crystals@ (CNFs@PDA) composites
The inherent high sensitivity and polymorphs phase transition of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), 1,3,5,7-tetranitro-1,3,5,7-tetrazocane...
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Development and characterization of innovative energetic composites based on nitrotriazolone and nanostructured cellulose nitrates
In response to the demands for elevated energy levels and enhanced homogeneity in propellant and explosive formulations, new energetic composites...
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Novel fluorine-containing energetic materials: how potential are they? A computational study of detonation performance
ContextHigh-energy density materials (HEDMs) have emerged as a research focus due to their advantageous ultra-high detonation performance and better...
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Recent Progress on Nitrogen-Rich Energetic Materials Based on Tetrazole Skeleton
Development of nitrogen-rich energetic materials has gained much attention because of their remarkable properties including large nitrogen content...
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Facile energetic fluoride chemistry induced organically coated aluminum powder with effectively improved ignition and combustion performances
Energetic fluoride chemistry possesses great promise as the energetic fluoride coating has the potential to enhance energy release of aluminum. In...
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Ammonium Perchlorate-Based Energetic Molecular Perovskite DAP-4 Deposited on CNTs: Catalytic Decomposition Behavior, Mechanisms, and Kinetics
Energetic molecular perovskite with superior decomposition enthalpy and high oxidizing ability is the out coming potential oxidizer in advanced...
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Silver/polydopamine/HMX nanocomposite: novel functionalized catalyzed energetic matrix with superior decomposition kinetics
Surface engineering of energetic materials can secure novel decomposition characteristics. Nature can inspire novel solutions. Polydopamine, with...
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Study of the relationship between pressure and sensitivity of energetic materials based on first-principles calculation
ContextIn order to study the relationship between the sensitivity and pressure of energetic materials, six kinds of energetic materials were selected...
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Preparation and combustion performance of molecular perovskite energetic material DAP-4-based composite with Titanium powder
Micron-sized titanium particles have potential applications as energetic metal high-enthalpy fuel materials. The molecular perovskite energetic...
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Theoretical study on the structure and properties of energetic salts with catenated N11 cation
The salt with catenated N11 cation (N11), which has the longest nitrogen chain, was synthesized. N11 is a low-sensitivity cation with comparatively...
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Structure and properties of 4a,5,7a, 8-tetrahydro-4H-imidazolo [4,5-b] [1, 2, 5] oxadiazolo [3,4-e] pyrazine-6 (7H)-ketone based energetic derivatives
During the research process, it was found that compounds with the "565" ring structure exhibited excellent detonation performance, which led to...
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Theoretical prediction on performance of a novel CL-20/bicyclo-HMX energetic cocrystal by MD method
In this article, a novel energetic cocrystal composed of CL-20 and bicyclo-HMX was designed. The crystal models of pure components (CL-20, and...
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Molecular design and energetic properties of 4H, 8H difurazano [3,4-b; 3′, 4′-e] pyrazine derivatives
Forty-five “4H, 8H difurazano[3,4-b;3′,4′-e] pyrazine (DFP) based energetic derivatives” were designed, and their heat of formation, stability,...
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DFT study on the intermolecular interaction between two energetic ionic salts: a case of TKX-50 and ADN
Based on the density functional theory, the mechanism of intermolecular interaction between two energetic ionic salts dihydroxylammonium...
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Construction of nitrate glycerol ether cellulose/RDX energetic composite in gun propellants and its comprehensive performance
In energetic materials, high-energy propellants always encounter poor mechanical properties. Herein, a novel energetic binder nitrate glycerol ether...
