Evidence map›Paper›PMID 39046583›Full record

ArticleJournal of molecular modeling2024

Exploring the nonlinear optical properties of hypoxanthinium salts: a structural and computational analysis.

Hamza Athmani, Amani Direm, Francisco A P Osório, Clodoaldo Valverde

Abstract read
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In one paragraph

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. 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

4 authors.

Hamza AthmaniLaboratory of Structures, Properties and Interatomic Interactions LASPI2A, Faculty of Sciences and Technology, Abbes Laghrour University, 40.000, Khenchela, Algeria.
Amani DiremLaboratory of Structures, Properties and Interatomic Interactions LASPI2A, Faculty of Sciences and Technology, Abbes Laghrour University, 40.000, Khenchela, Algeria. direm.amani@univ-khenchela.dz.ORCID http://orcid.org/0000-0002-6347-9173
Francisco A P OsórioInstituto de Física, Universidade Federal de Goiás, 74.690-900, Goiânia, GO, Brazil.
Clodoaldo ValverdeLaboratório de Modelagem Molecular Aplicada E Simulação (LaMMAS), Universidade Estadual de Goiás, Campus de CiênciasExatas E Tecnológicas, Anápolis, GO, 75001-970, Brazil. valverde@ueg.br.ORCID http://orcid.org/0000-0002-1656-4981

Funding

Ministry of Higher Education and Scientific Research MESRS, Algeria B00L01UN400120210002 (PRFU)
6 · The paper itself

Abstract

contextIn this study, we detail the synthesis and crystallographic characterization of an unprecedented structure, specifically hypoxanthinium chloride monohydrate ((I) hereafter), which crystallizes in the monoclinic P2

methodsThe crystalline environment was simulated using the iterative Supermolecule method (SM), and the static and dynamics linear refractive index, linear polarizability, second-order hyperpolarizability, and the third-order nonlinear susceptibility at the DFT/CAM-B3LYP/6-311++G(d,p) level were computed. The results for the macroscopic third-order nonlinear susceptibility of (II) was found to equal

Indexed as

Crystal structureDFT calculationsHS analysisHydrogen bondsHypoxanthinium saltNLO propertiesNon-classical interactionsTopological analysis

Identifiers

PMID39046583

What OpenQuestion holds

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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.