Evidence map›Paper›PMID 40192826›Full record

ArticleJournal of molecular modeling2025

Theoretical study of the nature of σ-hole regium bond between CuX/AgX/AuX and pyridine.

Junyong Wu, Hua Yan, Hao Chen, Guoliang Dai

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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.

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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

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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.

Junyong WuSchool of Pharmaceutical and Chemical Engineering, Taizhou University, Jiaojiang, Taizhou, 318000, Zhejiang, China. nfjywu@163.com.
Hua YanSchool of Pharmaceutical and Chemical Engineering, Taizhou University, Jiaojiang, Taizhou, 318000, Zhejiang, China.
Hao ChenSchool of Pharmaceutical and Chemical Engineering, Taizhou University, Jiaojiang, Taizhou, 318000, Zhejiang, China.
Guoliang DaiSchool of Chemical Biology and Materials Engineering, Suzhou University of Science and Technology, Suzhou, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextThe σ-hole regium bond complexes between coinage metal monohalide molecule CuX/AgX/AuX (X = F, Cl, and Br) and pyridine (C

methodsAll the complexes and respective monomers were optimized at the MP2/aug-cc-pVTZ level. Relativistic effects were considered for Cu, Ag, Au, and Br by using the aug-cc-pVTZ-PP basis set. The NBO population analysis and AIM and IRI analysis were carried out. The interaction energies of the σ-hole regium bonds complexes were decomposed by using the symmetric adaptive perturbation theory (SAPT).

Indexed as

IRI analysisPyridineRegium bondSAPT

Identifiers

PMID40192826

What Socratic 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 Socratic graph.