Evidence map›Paper›PMID 42771261›Full record

ArticleJournal of molecular modeling2026

Ethyl substitution enhances field-induced polarization in selenols and lowers the C-Se bond dissociation threshold.

Pengjun Tang, Siwei Qiu, Yuzhu Liu

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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

3 authors.

Pengjun TangSchool of Mathematics and Physics, Anhui Jianzhu University, Hefei , 230601, Anhui, China.
Siwei QiuSchool of Physics and Optoelectronic Engineering, NanjinDg University of Information Science and Technology, Nanjing, 210044, Jiangsu, China.
Yuzhu LiuSchool of Physics and Optoelectronic Engineering, NanjinDg University of Information Science and Technology, Nanjing, 210044, Jiangsu, China. yuzhu.liu@nuist.edu.cn.ORCID http://orcid.org/0000-0001-7341-4149

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextAlkyl substitution may alter the polarization and bond-selective dissociation of selenols in oriented external electric fields. We compare methaneselenol (CH

methodsGeometry optimizations, vibrational analyses, and TD-DFT calculations were performed using Gaussian 16 at the B3PW91/6-311+G(d,p) level. Structural, electronic, and spectroscopic responses were examined over 0-15.43 V nm

Indexed as

Density functional theory (DFT)EthaneselenolInfrared spectroscopyMethaneselenolMolecular dissociationOriented external electric field

Identifiers

PMID42771261

What OpenQuestion holds

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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.