Isomerization pathway of a C-C sigma bond in a bis(octaazamacrocycle)dinickel(II) complex activated by deprotonation: a DFT study.

Ingrid Jelemenska, Michal Zalibera, Peter Rapta, Anatoly A Dobrov, Vladimir B Arion, Lukas Bucinsky

Abstract read

In one paragraph

Article in Theoretical chemistry accounts, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

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

6 authors.

Ingrid JelemenskaInstitute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, 81237 Bratislava, Slovak Republic.

Michal ZaliberaInstitute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, 81237 Bratislava, Slovak Republic.

Peter RaptaInstitute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, 81237 Bratislava, Slovak Republic.

Anatoly A DobrovFaculty of Chemistry, Institute of Biophysical Chemistry, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria.

Vladimir B ArionInstitute of Inorganic Chemistry, University of Vienna, Währinger Strasse 42, 1090 Vienna, Austria.

Lukas BucinskyInstitute of Physical Chemistry and Chemical Physics, Faculty of Chemical and Food Technology, Slovak University of Technology in Bratislava, Radlinského 9, 81237 Bratislava, Slovak Republic.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The anti ( Supplementary Information: The online version contains supplementary material available at 10.1007/s00214-024-03100-5.

Indexed as

Anti-syn isomerDFTIsomerization pathwayNickel complexesPotential energy surfacesScan

Identifiers

PMID38495857

DOI10.1007/s00214-024-03100-5

PMCPMC10937780

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.