Evidence map›Paper›PMID 42090034›Full record

ArticleJournal of molecular modeling2026

Investigation on properties of energetic materials based on bis(4-nitropyrazole) bridged nitrogen-rich heterocycles.

Xinghui Jin, Jianhua Zhou, Fang Yuan, Qiong Wu

Abstract read
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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. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

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

4 authors.

Xinghui JinSchool of Chemistry and Chemical Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China. jingetiema0000@126.com.
Jianhua ZhouSchool of Chemistry and Chemical Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
Fang YuanSchool of Chemistry and Chemical Engineering, Qilu University of Technology (Shandong Academy of Sciences), Jinan, 250353, China.
Qiong WuNanjing Institute of Technology, Nanjing, 210094, China. qwunjit@163.com.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextEnergetic materials based on bis(4-nitropyrazole)-bridged nitrogen-rich heterocycles are designed, and their physical and chemical properties are fully investigated. Their heats of formation, detonation performance, and impact sensitivities are fully investigated. The results indicate that the addition of a tetrazole/-N

methodThe optimization of the designed compounds is performed with the Gaussian 16 program suite using the DFT-B3LYP method at the 6-311G(d,p) level. Multiwfn_3.8_dev is used to compute molecular surface properties. Employing the VMD program, the molecular electrostatic potential (ESP) distributions for compounds A2 and E2 are plotted. The initial decomposition mechanism and total decomposition process of A2 are investigated using the CASTEP code.

Indexed as

Bis(4-nitropyrazole)Detonation performanceDFTEnergetic materials

Identifiers

PMID42090034

What OpenQuestion holds

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Registered trials

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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.