A DFT study on the structures, properties, and interfacial interactions of cage-like HMX@cyclo[n]carbons energetic composites.

Qiong Wu, Qijun He, Zhihao Zheng, Yu Cao, Weihua Zhu

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Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

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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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3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

DFT studies on the anti-static and decomposition mechanisms of high energy materials in the charged and damp environment: a case study of RDX, HMX, TNAZ and TATB.Journal of molecular modeling · 2026
Article

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PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors.

Qiong WuSchool of Materials Science and Engineering, Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing Institute of Technology, Nanjing, 211167, China. qwunjit@163.com.

Qijun HeSchool of Materials Science and Engineering, Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing Institute of Technology, Nanjing, 211167, China.

Zhihao ZhengSchool of Materials Science and Engineering, Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing Institute of Technology, Nanjing, 211167, China.

Yu CaoSchool of Materials Science and Engineering, Jiangsu Key Laboratory of Advanced Structural Materials and Application Technology, Nanjing Institute of Technology, Nanjing, 211167, China.

Weihua ZhuSchool of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing, 210094, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextIn this work, a strategy for solving the problems in an actual application of energetic materials like the safety and combustion problems was proposed. A novel kind of carbon material with much smaller size than the traditional one, that is the cyclo[n]carbons (C

methodsAll of the calculations on the structures were carried out by using the Gaussian 09 software at the M06-2X/6-311G(d,p)level. In addition, further calculations on the properties and interactions were performed by using the Multiwfn software.

Indexed as

Anti-impactAnti-staticCyclo[n]carbonEnergetic compositesHMX

Identifiers

PMID42384118

DOI10.1007/s00894-026-06828-y

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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.