Evidence map›Paper›PMID 35460442›Full record

ArticleJournal of molecular modeling2022

Coumarin 343 in aqueous solution: theoretical analysis of absorption.

Evgeniy S Savenko, Victor V Kostjukov

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2022. 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

2 authors.

Evgeniy S SavenkoPhysics Department, Sevastopol State University, Universitetskaya St., 33, Sevastopol, 299053, Crimea.
Victor V KostjukovPhysics Department, Sevastopol State University, Universitetskaya St., 33, Sevastopol, 299053, Crimea. viktor_kostukov@mail.ru.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Vibronic coupling and hydration were taken into account when describing the absorption of coumarin C343 (both neutral and anionic forms) in an aqueous media. It was shown that the B3LYP functional with the 6-31 +  + G(d,p) basis set and the IEFPCM solvent continuum model give theoretical vibronic absorption spectra, which are coincide with the experimental ones. Of the structural differences between C343

Indexed as

Quantum TheoryWaterAnionsCoumarinsSolventsAnionscoumarin 343CoumarinsSolventsWaterAbsorption spectrumCoumarin 343HydrationTD-DFT/DFTVibronic transitions

Identifiers

PMID35460442

What OpenQuestion holds

Textmetadata
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.