Evidence map›Paper›PMID 39287820›Full record

ArticleJournal of molecular modeling2024

Tutton salt (NH

João G de Oliveira Neto, Jailton R Viana, Kamila R Abreu, Luiz F L da Silva, Mateus R Lage, Stanislav R Stoyanov, Francisco F de Sousa, Rossano Lang, Adenilson O Dos Santos

Abstract read
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. 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.

  1. Article
  2. Article
  3. 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

9 authors.

João G de Oliveira NetoCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil.ORCID http://orcid.org/0000-0001-7576-1400
Jailton R VianaCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil.ORCID http://orcid.org/0000-0002-8790-0217
Kamila R AbreuCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil.ORCID http://orcid.org/0000-0003-1583-3630
Luiz F L da SilvaInstitute of Criminalistics, Scientific Police of Pará, Marabá, PA, 68507-000, Brazil.ORCID http://orcid.org/0000-0003-0811-8065
Mateus R LageCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil. mateus.lage@ufma.br.ORCID http://orcid.org/0000-0002-4810-0479
Stanislav R StoyanovCanmetENERGY Devon, Natural Resources Canada, 1 Oil Patch Drive, Devon, AB, T9G 1A8, Canada. stanislav.stoyanov@nrcan-rncan.gc.ca.ORCID http://orcid.org/0000-0002-1878-4216
Francisco F de SousaCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil.ORCID http://orcid.org/0000-0003-3413-5520
Rossano LangInstitute of Science and Technology, Federal University of São Paulo-UNIFESP, São José Dos Campos, SP, 12231-280, Brazil.ORCID http://orcid.org/0000-0001-6499-4700
Adenilson O Dos SantosCenter for Social Sciences, Health, and Technology, Federal University of Maranhão-UFMA, Imperatriz, MA, 65900-410, Brazil.ORCID http://orcid.org/0000-0002-2248-5104

Funding

Conselho Nacional de Desenvolvimento Científico e Tecnológico 420850/2018-0, 438753/2018-6, and 309688/2019-1Fundação de Amparo à Pesquisa e ao Desenvolvimento Científico e Tecnológico do Maranhão BPD-12643/22
6 · The paper itself

Abstract

contextAmmonium Tutton salts have been widely studied in recent years due to their thermostructural properties, which make them promising compounds for application in thermochemical energy storage devices. In this work, a detailed experimental study of the Tutton salt with the formula (NH

methodsComputational studies using Hirshfeld surfaces and void analysis are conducted to identify and quantify the intermolecular contacts occurring in the crystal structure. Furthermore, geometry optimization calculations are performed based on density functional theory (DFT) using the PBE functional and norm-conserving pseudopotentials implemented in the Cambridge Serial Total Energy Package (CASTEP). The primitive unit cell optimization was conducted using the Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm. The electronic properties of band structure and density of states, and vibrational modes of the optimized crystal lattice are calculated and analyzed.

Indexed as

DFT calculationsHeat storage materialsHirshfeld surfaces(NH4)2Zn(SO4)2(H2O)6Thermochemical devicesTutton salts

Identifiers

PMID39287820
PMCPMC11408582

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

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.