Evidence map›Paper›PMID 39373209›Full record

ArticleJournal of chemical theory and computation2024

Tomasz K Piskorz, Bernadette Lee, Shaoqi Zhan, Fernanda Duarte

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
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.

Tomasz K PiskorzDepartment of Chemistry, University of Oxford, Oxford OX1 3QZ, U.K.ORCID 0000-0003-0716-6874
Bernadette LeeDepartment of Chemistry, University of Oxford, Oxford OX1 3QZ, U.K.ORCID 0000-0001-8548-6756
Shaoqi ZhanDepartment of Chemistry, University of Oxford, Oxford OX1 3QZ, U.K.
Fernanda DuarteDepartment of Chemistry, University of Oxford, Oxford OX1 3QZ, U.K.ORCID 0000-0002-6062-8209

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Metal ions play a central, functional, and structural role in many molecular structures, from small catalysts to metal-organic frameworks (MOFs) and proteins. Computational studies of these systems typically employ classical or quantum mechanical approaches or a combination of both. Among classical models, only the covalent metal model reproduces both geometries and charge transfer effects but requires time-consuming parameterization, especially for supramolecular systems containing repetitive units. To streamline this process, we introduce

Identifiers

PMID39373209
PMCPMC11500408

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.