Evidence map›Paper›PMID 39769963›Full record

ArticleMolecules (Basel, Switzerland)2024

Scaling of Rotational Constants.

Denis S Tikhonov, Colin J Sueyoshi, Wenhao Sun, Fan Xie, Maria Khon, Eva Gougoula, Jiayi Li, Freya Berggötz, Himanshi Singh, Christina M Tonauer and 1 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

11 authors.

Denis S TikhonovDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0003-3167-3104
Colin J SueyoshiDepartment of Chemistry, Amherst College, Amherst, MA 01002-5000, USA.ORCID 0009-0002-8640-389X
Wenhao SunDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-2221-0362
Fan XieDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-0353-2059
Maria KhonDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Eva GougoulaDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0002-2037-1314
Jiayi LiDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.
Freya BerggötzDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0009-0007-4842-6640
Himanshi SinghDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-8862-697X
Christina M TonauerDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-6859-5344
Melanie SchnellDeutsches Elektronen-Synchrotron DESY, Notkestr. 85, 22607 Hamburg, Germany.ORCID 0000-0001-7801-7134

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This manuscript introduces the concept of scaling factors for rotational constants. These factors are designed to bring computed equilibrium rotational constants closer to experimentally fitted ground-state-averaged rotational constants. The parameterization of the scaling factors was performed for several levels of theory, namely DF-D

Indexed as

density functional theoryrotational constantsscaling factors

Identifiers

PMID39769963
PMCPMC11677491

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.