ArticleJournal of molecular modeling2023
Regulation of external electric field on sensitivity of ICM energetic materials.
Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
7 citing papers in PubMed, 10 citations in OpenAlex.
- Physical Responses to the Structural Evolution of CL-20-Based Energetic Solvates with HInternational journal of molecular sciences · 2026Article
- Mechanism of external electric field modulating thermal decomposition of diphenyl azidophosphate: thermal safety assessment targeting electrostatic hazard risk.Journal of molecular modeling · 2026Article
- Comparative study on structural and electronic response behaviors of three energetic materials containing tri-isomeric oxadiazole rings in electric field.Journal of molecular modeling · 2026Article
- Electrostatic field modulation of high-nitrogen heterocycles: a computational study on energy and stability.Journal of molecular modeling · 2025Article
- Study on the electronic structure and molecular response mechanism of triazole derivatives under electric field regulation.Journal of molecular modeling · 2025Article
- The molecular structure, electronic properties, and decomposition mechanism of FOX-7 under external electric field were calculated based on density functional theory.Journal of molecular modeling · 2024Article
- Study on the regulation of ε-CL-20 by an external electric field.Journal of molecular modeling · 2024Article
Corrections and comments
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Authors and funding
5 authors at 1 institution in 1 country.
Funding
Abstract
context[2,2'-Bi(1,3,4-oxadiazole)]-5,5'-dinitramide (ICM-101), 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide (ICM-102), and 6-nitro-7-azido-pyrazol[3,4-d][1,2,3]triazine-2-oxide (ICM-103) are excellent China-made explosives, but their performance under external electric fields (EEF) has never been explored, especially sensitivity. To study the induction effect of EEF on it, the chemical reactivity, electron localization function (ELF), spectrum, and other parameters were calculated by density functional theory. The results show that the increasing EEF can weaken the △E
methodsGaussian 16 software was used for calculation. The calculation levels are B3LYP/6-311G+ (d, p) and B3LYP/Def2-TZVPP. The optimized structure has a local true minimum energy on the potential energy surface and no imaginary frequency. Multiwfn 3.8 and VMD 1.9.3 were used in this work to analyze the ICM series of energetic material wave functions. The strength range of EEF is 0.000-0.016 a.u., and the increasing gradient is 0.002 a.u.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.