Evidence map›Paper›PMID 41003745›Full record

ArticleJournal of molecular modeling2025

Nitrogen-rich prismane-based cage compounds: impact of pentazole substitution on detonation and explosive performance.

Anjali Sharma, Dhruba Kshetrimayum, Usman Muhammad Aliyu, Mridula Guin

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2025. 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.

Anjali SharmaDepartment of Chemistry and Biochemistry, Sharda University, Greater Noida, 201310, India.
Dhruba KshetrimayumDepartment of Chemistry and Biochemistry, Sharda University, Greater Noida, 201310, India.
Usman Muhammad AliyuDepartment of Chemistry and Biochemistry, Sharda University, Greater Noida, 201310, India.
Mridula GuinDepartment of Chemistry and Biochemistry, Sharda University, Greater Noida, 201310, India. mridula.guin@sharda.ac.in.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextThis research explores the impact of systematic addition of pentazole group on the explosive properties of prismane-based compounds on hexanitroprismane and hexaminoprismane. Replacing the NO

methodsDensity functional theory (DFT) using Gaussian 16 software was used for all quantum chemical calculations. The optimization of the geometry of the designed compounds is performed at two different levels, e.g., B3LYP/6-311 + + G(d,p) and B3PW91/6-31G(d,p). Molecular surface and other properties are visualized using GaussView 6.0 software. The heat of formation (HOF) of the molecules is estimated using isodesmic reactions. The multiwfn program was used for the calculation of molecular surface properties.

Indexed as

Cage compoundsDensity functional theoryDetonation propertyExplosophoric groupHeat of formationHigh energy materialImpact sensitivityPrismaneThermodynamic stability

Identifiers

PMID41003745

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

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.