Evidence map›Paper›PMID 39168888›Full record

ArticleJournal of molecular modeling2024

Structural, electronic, and NLO properties of two acridone alkaloîds: DFT and TD-DFT studies.

Vincent de Paul Zoua, Albert Fouda Atangana, Atud Quiggle Asi, Ismaèl Figapka Pagoré, Simplice Joel Ndendoung Tatsimo, Rahman Abdoul Ntieche

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Article in Journal of molecular modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

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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.

Vincent de Paul ZouaDepartment of Fundamental and Cruss-Cutting Science, National Advanced School of Public Works, P. O. Box 510, Yaoundé, Cameroon. zoua.vincentdepaul@yahoo.com.
Albert Fouda AtanganaDepartment of Chemistry, Faculty of Science, University of Maroua, P. O. Box 814, Maroua, Cameroon.
Atud Quiggle AsiDepartment of Environmental Engineering, National Advanced School of Public Works, P. O. Box 510, Yaoundé, Cameroon.
Ismaèl Figapka PagoréDepartment of Basic and Applied Fundamental Science, Water Ressources and Environment, Higher Institute of Agriculture Forestry, University of Ebolowa, P. O. Box 118, Ebolowa, Cameroon.
Simplice Joel Ndendoung TatsimoDepartment of Chemistry, Higher Teachers' Training College, University of Maroua, P.O. Box 55, Maroua, Cameroon.
Rahman Abdoul NtiecheDepartment of Chemistry-Biology, Faculty of Science, University of Bertoua, P. O. Box 652, Bertoua, Cameroon.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextThe structural, electronic, and nonlinear optical properties of Verdoocridone A (Ver A) and B (Ver B) are examined theoretically in this study. The results showed that Ver A and B exhibit good electronic properties and can be used as new materials in NLO applications. According to their maximum absorption wavelength, Ver A (λ

methodsAll calculations were performed at the DFT/B3LYP-D3/6-311 + G(d,p) level of theory using the Gaussian 16 software package. Excited states were simulated using the TD-DFT method at the CAM-B3LYP combined with 6-311 + (d,p) basis set. Also, the solvent effect was studied in water and benzene phases by the solvation model based on density (SMD) method.

Indexed as

DFTEnergetic gapNLO propertiesReactivityVerdoocridone A and B

Identifiers

PMID39168888

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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.