Evidence map›Paper›PMID 33932166›Full record

ArticleJournal of molecular modeling2021

Computational structural, electronic and optical properties of the palmitic acid in its C form.

J G S Santos, A Macedo-Filho, A M Silva, F F de Sousa, E W S Caetano, M B da Silva, V N Freire

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2021. 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
0.3field-weighted citation impact, top 54% of its field
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, 8 citations in OpenAlex.

  1. Exploring wide gap semiconductor characteristics inJournal of molecular modeling · 2024
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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

7 authors at 5 institutions in 1 country.

J G S SantosPPGQ-GERATEC, Universidade Estadual do Piauí, 64002-150, Teresina, PI, Brazil.
A Macedo-FilhoPPGQ-GERATEC, Universidade Estadual do Piauí, 64002-150, Teresina, PI, Brazil. amfilho@prp.uespi.br.ORCID http://orcid.org/0000-0002-9419-5595
A M SilvaCampus Prof. Antonio Geovanne Alves de Sousa, Universidade Estadual do Piauí, 64260-000, Piripiri, PI, Brazil.
F F de SousaInstituto de Ciências Exatas e Naturais, Universidade Federal do Pará, 66075-110, Belém, PA, Brazil.
E W S CaetanoInstituto Federal de Educação, Ciência e Tecnologia do Ceará, DEMEL, Campus Fortaleza, 60040-531, Fortaleza, CE, Brazil.
M B da SilvaE. E. M. Auton Aragão, 62250-000, Ipu, CE, Brazil.
V N FreireDepartamento de Física, Universidade Federal do Ceará, 60455-760, Fortaleza, CE, Brazil.
Universidade Estadual do Piauí · BRCentro de Estudos e Pesquisas em Educação, Cultura e Ação Comunitária · BRInstituto Federal de Educação, Ciência e Tecnologia do Ceará · BRUniversidade Federal do Ceará · BRUniversidade Federal do Pará · BR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this work, we report a theoretical study of the structural, electronic, and optical properties of palmitic acid crystal in its C form under DFT calculations level. Palmitic acid is a fatty acid that constitutes the large majority of vegetable oils with recognized potential applications in medicine, pharmaceuticals, cosmetics technology, foods, and fuel. As a main result, we have found that the electronic bandstructure reveals an indirect gap given by 3.713 eV (E→B andE→Γ), as a main bandgap, while the secondary bandgaps found were 4.175 eV (γ

Indexed as

DFT calculationsPalmitic acidSemiconducting behavior

Identifiers

PMID33932166
OpenAlexW3157522869

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.