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A new sensitive structural motif inlaying the azides and tetrazole-based rigid 3D energetic MOFs: Highly sensitive primary explosives with excellent thermal stability

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TLDR
In this paper, the authors employed the rigid tetrazole ligand to obtain two 3D energetic metal-organic frameworks (EMOFs) [Cd3(N3)2(tz)3(OH)]n 2 (Htz=tetrazole).
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This article is published in Chemical Engineering Journal.The article was published on 2022-02-01. It has received 20 citations till now. The article focuses on the topics: Tetrazole & Azide.

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Sensitive structural motifs separately distributed in azide-based 3D EMOFs: A primary explosive with excellent initiation ability and enhanced stability

TL;DR: Azide-based energetic metal−organic frameworks (EMOFs) with remarkable initiation capability can be expected to replace lead-based primers (lead azide, LA; lead styphnate, LS) as discussed by the authors .
Journal ArticleDOI

Energetic coordination compounds of late 3d metals with 1N-(Nitromethyl)-5H-tetrazole, a ligand with astonishing properties from the rare class of N-nitromethyl azoles

TL;DR: In this paper , the N-nitromethyl moiety is introduced onto the 1,5H-tetrazole scaffold, representing the fourth and fifth ever synthesized N-Nitromethyl azoles.
Journal ArticleDOI

Facile synthesis and superior properties of a nitrogen-rich energetic Zn-MOF with a 2D azide-bridged bilayer structure.

TL;DR: In this paper , a new Pb-free energetic metal-organic frameworks (EMOFs) with both high nitrogen content and high thermostability was synthesized by simply using a commercial ligand (atz) under mild conditions.
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New form of high energy primary explosive: Dual structure composed of ionic salt-based coordination polymers

TL;DR: Based on the guiding ideology of crystallization chemistry and synthetic chemistry, Wang et al. as mentioned in this paper put forward the concept of multi-structure CPs for the first time, and creatively designed two kinds of primary explosive Cu(PZCA)2(ClO4)2 (ECPs-1) and Cu(HAPZCA), 2 (ClO 4)4 (EIsCPs-1).
References
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Journal ArticleDOI

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
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Multiwfn: a multifunctional wavefunction analyzer.

TL;DR: Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn, a multifunctional program for wavefunction analysis.
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SHELXT - Integrated space-group and crystal- structure determination

TL;DR: This work automates routine small-molecule structure determination starting from single-crystal reflection data, the Laue group and a reasonable guess as to which elements might be present.
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Revealing noncovalent interactions.

TL;DR: This work develops an approach to detect noncovalent interactions in real space, based on the electron density and its derivatives, which provides a rich representation of van der Waals interactions, hydrogen bonds, and steric repulsion in small molecules, molecular complexes, and solids.
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