Rapid and scalable ruthenium catalyzed meta-C–H alkylation enabled by resonant acoustic mixing

A Dey, R Kancherla, K Pal, N Kloszewski… - Communications …, 2024 - nature.com
Synthetic chemistry approaches for direct C–H bond alkylation offers a promising alternative
to traditional functional-group-centered strategies which often involve multi-step procedures …

Fabrication, Characterization, and Performance Evaluation of Thermally Stable [5, 6]-Fused Bicyclic Energetic Materials

QN Tariq, S Manzoor, X Ling, WS Dong… - … Applied Materials & …, 2024 - ACS Publications
In recent decades, there has been considerable interest in investigating advanced energetic
materials characterized by high stability and favorable energetic properties. Nevertheless …

Strategy for Balance Energy and Safety: Salt Formation of Nitrogen-Rich Bicyclic Compounds Based on 1, 2, 4-Triazole

Z Cui, J Wang, L Wu, X Yuan, Q Yu, J Zhang… - Crystal Growth & …, 2024 - ACS Publications
Nitrogen-rich heterocycles with high energy are ideal units for the design of energetic
materials. An improved one-step reaction was carried out to obtain (tetrazolyl)-1, 2, 4-triazole …

Self-Assembly of Purines with Oxidants for the Development of Novel, Dense, Insensitive, and Thermally Stable Energetic Materials

QN Tariq, WS Dong, M Sun, S Manzoor… - Crystal Growth & …, 2024 - ACS Publications
Development and production of novel high-performing nitrogen-rich energetic compounds
with a safe and environmentally friendly nature are significant in the pursuit of new …

Cocrystal Prediction Tool (CCPT): A Web Server for Deep Learning-Assisted Cocrystal Screening and Density Evaluation

J Guo, S Yang, C Wang, J Liu, Y Guo… - Crystal Growth & …, 2024 - ACS Publications
Cocrystallization, as a molecular modification strategy, has exhibited great success in the
chemistry and material fields. To reduce time and labor costs in experiments, machine …

Effect of the Functional Group Position in Coformers on Ternary Cocrystals: A Case of Sulfamoylbenzoic Acids

L Qi, S Xuanyuan, C Li, X Zhou, Y Ye, Y Sun… - Crystal Growth & …, 2024 - ACS Publications
Ternary cocrystals are an interesting and important topic of multicomponent crystals in
crystal engineering. Although some cases of ternary cocrystals and strategies have been …

[HTML][HTML] CL-20 analogues: Structure-Thermal stability/decomposition mechanism relationships

VP Sinditskii, NV Yudin, VV Serushkin… - Energetic Materials …, 2024 - Elsevier
Absracts The thermal decomposition of a number of analogues of
hexanitrohexaazaisowurtzitan (CL-20), in where one or more N-nitro groups have been …

The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals

AJ Cruz-Cabeza, PR Spackman, AV Hall - Communications Chemistry, 2024 - nature.com
Supramolecular synthon and hydrogen bond pairing approaches have influenced the
understanding of cocrystal formation for decades, but are hydrogen bonds really the …

[HTML][HTML] Searching new cocrystal structures of CL-20 and HMX via evolutionary algorithm and machine learning potential

ZH Ye, F Guo, CG Chai, YS Wen… - Journal of Materials …, 2024 - oaepublish.com
In this work, we report the discovery of energy cocrystals using an efficient iterative workflow
combining an evolutionary algorithm and a machine learning potential (MLP). The …

CL‐20/4, 5‐MDNI crystal growth and morphology under different conditions: A molecular dynamics simulation

X Zhou, L Song, X Li, XL Zeng… - Journal of the Chinese …, 2025 - Wiley Online Library
Abstract CL‐20/4, 5‐MDNI exists in two cocrystal forms with different stoichiometric ratios of
1: 1 and 1: 3. The properties (such as blast performance, thermal performance, sensitivity …