Evidence map›Paper›PMID 39777559›Full record

ArticleJournal of molecular modeling2025

Theoretical study on highly nitrated sensitive pyrazole isomers in the presence of external electric field.

Mengjie Bo, Zikai Gao, Zhihui Gu, Congming Ma, Peng Ma

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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

5 authors.

Mengjie BoCollege of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Zikai GaoCollege of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Zhihui GuCollege of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Congming MaCollege of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China.
Peng MaCollege of Safety Science and Engineering, Nanjing Tech University, Nanjing, 210009, China. mapeng@njtech.edu.cn.

Funding

National Natural Science Foundation of Jiangsu Province NO. BK20220352
6 · The paper itself

Abstract

contextThis article mainly studies three isomers of C

methodsUsing density functional theory, the B3LYP/6-311 + G (d, p) method was employed for structural optimization. After optimizing convergence, ensure that there are no imaginary frequencies to obtain a stable structure. Wave function analysis was performed using Multiwfn 3.8 and VMD 1.9.3. The EEF strength ranged from - 0.02 a.u. to 0.02 a.u., with a growth gradient of 0.005 a.u.

Indexed as

Density functional theoryEnergetic materialExternal electric fieldPyrazole

Identifiers

PMID39777559

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.