Properties and promise of catenated nitrogen systems as high-energy-density materials

OT O'Sullivan, MJ Zdilla - Chemical reviews, 2020 - ACS Publications
The properties of catenated nitrogen molecules, molecules containing internal chains of
bonded nitrogen atoms, is of fundamental scientific interest in chemical structure and …

Organic and inorganic biocidal energetic materials for agent defeat weapons: An overview and research perspectives

AP Reverberi, VP Meshalkin, OB Butusov… - Energies, 2023 - mdpi.com
A critical survey concerning biocidal energetics is proposed according to a classification
depending on their chemical structure. The need of optimizing the performances of such …

Synthesis of new-type, cost-effective and insensitive energetic materials via nitration of solid bituminous hydrocarbons

S Abdolahi, M Soleiman-Beigi - RSC advances, 2024 - pubs.rsc.org
A global trend for the development of energetic materials using various sources is promoted
by researchers annually. Solid bituminous hydrocarbons can play a key role in carbon …

[HTML][HTML] EM Database v1. 0: A benchmark informatics platform for data-driven discovery of energetic materials

X Huang, W Qian, J Liu, J Zhou, C Zhang - Energetic Materials Frontiers, 2023 - Elsevier
Large-scale data demonstrates great significance for the discovery of novel energetic
materials (EMs). However, the open-source databases of EMs are not readily available. In …

Research output software for energetic materials based on observational modelling 2.1 (RoseBoom2. 1©)

S Wahler, TM Klapötke - Materials Advances, 2022 - pubs.rsc.org
There is huge scope for the implementation of sustainable methods in the research of new
energetic materials and there are a number of ways this can be achieved. With the …

On the Enthalpy of Formation and Enthalpy of Sublimation of Dihydroxylammonium 5, 5′‐bitetrazole‐1, 1′‐dioxide (TKX‐50)

ALR Silva, ARRP Almeida… - Propellants …, 2023 - Wiley Online Library
The thermodynamic characterization of dihydroxylammonium 5, 5′‐bitetrazole‐1, 1′‐
dioxide (TKX‐50) was reinvestigated. Although TKX‐50 is one of the most promising new …

Magic of numbers: A guide for preliminary estimation of the detonation performance of C–H–N–O explosives based on empirical formulas

SV Bondarchuk - Industrial & Engineering Chemistry Research, 2021 - ACS Publications
In this paper, we report a comprehensive analytical study of the factors influencing the
detonation properties of C–H–N–O explosives. Besides the commonly applied parameters …

[HTML][HTML] Diazoamination: A simple way to enhance detonation performance of aminoaromatic and aminoheterocyclic energetic materials

SV Bondarchuk - FirePhysChem, 2021 - Elsevier
In this paper, we report a theoretical study of the change in detonation efficiency of energetic
amines undergone diazoamination reaction. For this purpose, we selected 17 …

A simple approach for assessment of toxicity of nitroaromatic compounds without using complex descriptors and computer codes

MH Keshavarz, AR Akbarzadeh - SAR and QSAR in …, 2019 - Taylor & Francis
ABSTRACT A simple approach is introduced to assess the toxicity of nitroaromatic
compounds in terms of an oral LD50 dose (50% lethal dose) for rats. Most of the presented …

Rational design, synthesis and evaluation of new azido-ester structures as green energetic plasticizers

N Sheibani, N Zohari, R Fareghi-Alamdari - Dalton Transactions, 2020 - pubs.rsc.org
Computer-aided molecular design (CAMD) is a well-known tool for the theoretical
assessment of chemical structures before their experimental synthesis. In this study, we …