Evidence map›Paper›PMID 36896579›Full record

ArticleJournal of chemical theory and computation2023

Quadratic Spin-Orbit Mechanism of the Electronic g-Tensor.

Petra Pikulová, Debora Misenkova, Radek Marek, Stanislav Komorovsky, Jan Novotný

Open access · hybridAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of chemical theory and computation, 2023. 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
0.2field-weighted citation impact, top 62% of its field
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, 3 citations in OpenAlex.

  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

5 authors at 2 institutions in 2 countries.

Petra PikulováCEITEC─Central European Institute of Technology, Masaryk University, Kamenice 5, Brno CZ-62500, Czechia.ORCID 0000-0003-4928-5038
Debora MisenkovaInstitute of Inorganic Chemistry, Slovak Academy of Science, Dúbravská cesta 9, Bratislava SK-84536, Slovakia.
Radek MarekCEITEC─Central European Institute of Technology, Masaryk University, Kamenice 5, Brno CZ-62500, Czechia.ORCID 0000-0002-3668-3523
Stanislav KomorovskyInstitute of Inorganic Chemistry, Slovak Academy of Science, Dúbravská cesta 9, Bratislava SK-84536, Slovakia.ORCID 0000-0002-5317-7200
Jan NovotnýCEITEC─Central European Institute of Technology, Masaryk University, Kamenice 5, Brno CZ-62500, Czechia.ORCID 0000-0002-1203-9549
Central European Institute of Technology · CZInstitute of Chemistry of the Slovak Academy of Sciences · SK

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding how the electronic g-tensor is linked to the electronic structure is desirable for the correct interpretation of electron paramagnetic resonance spectra. For heavy-element compounds with large spin-orbit (SO) effects, this is still not completely clear. We report our investigation of quadratic SO contributions to the g-shift in heavy transition metal complexes. We implemented third-order perturbation theory in order to analyze the contributions arising from frontier molecular spin orbitals (MSOs). We show that the dominant quadratic SO term─spin-Zeeman (SO

Identifiers

PMID36896579
PMCPMC10061661
OpenAlexW4323809453

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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 OpenQuestion graph.