Evidence map›Paper›PMID 42334033›Full record

ArticleJournal of computational chemistry2026

A Molecular "Thermometer" for Measuring Effective Non-Local Exchange.

Stefan Grimme, Marcel Müller, Thomas Froitzheim, Andreas Hansen

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of computational chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Revisiting the C60ISO and iso-C60 Data Sets of Relative Energies for CThe journal of physical chemistry letters · 2026
    Article
  2. 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.

Stefan GrimmeMulliken Center for Theoretical Chemistry, Clausius-Institute for Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.ORCID https://orcid.org/0000-0002-5844-4371
Marcel MüllerMulliken Center for Theoretical Chemistry, Clausius-Institute for Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.ORCID https://orcid.org/0000-0002-5398-4192
Thomas FroitzheimMulliken Center for Theoretical Chemistry, Clausius-Institute for Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.ORCID https://orcid.org/0000-0001-9853-0410
Andreas HansenMulliken Center for Theoretical Chemistry, Clausius-Institute for Physical and Theoretical Chemistry, University of Bonn, Bonn, Germany.ORCID https://orcid.org/0000-0003-1659-8206

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Non-local exchange (NLX) is a key ingredient for accurate density functional calculations, but its effective strength is often hard to quantify beyond simple global hybrids. To this end, we introduce a molecular probe based on the isomerization of hexaethynylbenzene to carbo-benzene, a reaction with exceptional sensitivity to exchange effects. Using the isomerization energy, we define a simple relative measure,

Indexed as

density functional theoryelectron delocalizationhydrocarbonsnonlocal exchangethermochemistry

Identifiers

PMID42334033
PMCPMC13288322

What OpenQuestion holds

Textmetadata
LicenceCC BY
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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.