Finding new high-energy-density materials with desired properties has been intensely-pursued in recent decades. However, the contradictory relationship between high energy and low mechanical sensitivity makes innovation of insensitive an enormous challenge. Here, we show how a genome approach can be used to accelerate discovery high-energy explosives by identification "genetic" features, rapid molecular design, screening, as well experimental synthesis target molecule,...

Two 5,6-fused tetrazolo-pyridazine compounds were synthesized and characterized, which exhibited high thermal stability, excellent energetic properties low mechanical sensitivity.

A versatile host–guest driven explosive-oxidant inclusion strategy was proposed to develop advanced high-energy-density materials (HEDMs) with high detonation performances, low mechanical sensitivities and excellent combustion properties.

Abstract Bis(4‐nitraminofurazanyl‐3‐azoxy)azofurazan ( 1 ) and ten of its energetic salts were prepared fully characterized. Computational analysis based on isochemical shielding surface trigger bond dissociation enthalpy provide a better understanding the thermal stabilities for nitramine‐furazans. These compounds exhibit good densities, high heats formation, excellent detonation velocity pressure. Some representative compounds, example, v D : 9541 m s −1 ; P 40.5 GPa), 4 9256 38.0 GPa)...

For an energetic molecule with a definite elemental composition, the substituent type and position are most important factors to influence its detonation performance mechanical sensitivities. In this work, two pairs of FOX-7-like isomers based on (

A facile and efficient radical-mediated C–N bond activation method in a monocyclic pyrazole at room temperature was developed.

The energetic ammonium salt of dinitroamino-4,4′,5,5′-tetranitro-2 H ,2′ -[3,3′-bipyrazole] exhibits exceptionally high density, excellent detonation properties, and non-hygroscopic behavior.

Herein, we report the successful synthesis of a series asymmetric bistetrazole-based energetic compounds (4, 8, 4a-c, and 5a-c) starting from 2-(5-amino-4-nitro-1H-pyrazol-3-yl)-2H-5-cyanotetrazol (3), which was obtained via reaction 3,5-diamino-4-nitropyrazole hydrochloride with diazoacetonitrile using [3 + 2] cycloaddition strategy. All newly synthesized displayed superior detonation performances, particularly 2'-(5-amino-4-nitro-1H-pyrazol-4-yl)-2H,2'H-5,5'-bistetrazole (4), exhibited...

Using a facile and cost-effective method, nine bicyclic 1,2,3-triazine 2-oxides were synthesized from o-aminocyanide substrates through an unusual nitration cyclization. The reaction mechanism was studied experimentally theoretically. Moreover, 3-oxides also obtained in good yields.

Two 6,5,6-fused 1,2,3-triazine-3-oxides (4 and 6) were designed synthesized via the reaction of o-aminoamidoximes with sodium nitrite. In addition, ring-opening products (5, 7, 8) derived from isolated characterized. A comprehensive exploration mechanism governing process was performed through a combination theoretical experimental studies. Notably, compound 4 exhibited commendable detonation properties low sensitivity, demonstrating its promising potential as an energetic material.

In this study, the synthesis and properties of 6-nitramino-7-nitro-8-aminotetrazolo[1,5-b]pyridazine (1) its alkali metal salts (2–6) were presented. The hydrolysis 6-nitramino 8-amino from 1 was occurred at specified conditions, which generated a series 6-nitramino-7-nitro-8-hydroxy-tetrazolo[1,5-b]pyridazine (7, 12) 6-amino-7-nitro-8-hydroxy-tetrazolo [1,5-b]pyridazine (8-11). Their structures characterized by SXRD, IR, EA, HRMS NMR, respectively. thermal stability investigated using DTA...

5-Nitro-1,2,4-triazol-3-one, a nitro-functionalized 1,2,4-triazol-3-one (TO) derivative, shows excellent energetic properties and promising application potential. However, the use of TO skeleton as an material is still largely underexplored both theoretically practically. We report here mild efficient method for obtaining via reaction aminocarbohydrazide with BrCN. Two compounds (2 5) were synthesized fully characterized by 15N nuclear magnetic resonance, two-dimensional 1H-15N heteronuclear...

An efficient strategy of constructing nitrogen-rich 1,2,4-triazole bridged compounds via silver-catalyzed one-pot cycloaddition has been developed, which resulted in the formation promising heat-resistant materials.

We discuss the existence and uniqueness of solutions for initial value problems nonlinear singular multiterm impulsive Caputo type fractional differential equations on half line. Our study includes cases a single base point equation as well multiple points equation. The asymptotic behavior is also investigated. demonstrate utility our work by applying main results to fractional-order logistic models.

Abstract In this paper, we present a new method for converting boundary value problems of impulsive fractional differential equations to integral equations. Applications are given solve some types anti-periodic Firstly by using iterative method, prove existence and uniqueness solutions Cauchy involving Caputo derivative, Riemann–Liouville Hadamard derivatives with order <m:math xmlns:m="http://www.w3.org/1998/Math/MathML"> <m:mrow> <m:mi>q</m:mi> <m:mo>∈</m:mo> <m:mo...

Abstract In this article, we study a boundary value problem of coupled system nonlinear Riemann-Liouville type fractional differential equations with conditions on the half-line. An appropriate compactness criterion is established to prove existence solutions by means Schauder fixed point theorem. illustrative example also given. MSC: 34A08, 34A12, 34B40.

Abstract Bis(4‐nitraminofurazanyl‐3‐azoxy)azofurazan ( 1 ) and ten of its energetic salts were prepared fully characterized. Computational analysis based on isochemical shielding surface trigger bond dissociation enthalpy provide a better understanding the thermal stabilities for nitramine‐furazans. These compounds exhibit good densities, high heats formation, excellent detonation velocity pressure. Some representative compounds, example, v D : 9541 m s −1 ; P 40.5 GPa), 4 9256 38.0 GPa)...