Evidence map›Paper›PMID 37608185›Full record

ArticleJournal of molecular modeling2023

CO to formaldehyde transformation study on pristine and Au-modified BaTiO

Víctor E Comparán-Padilla, María Teresa Romero-de la Cruz, Reyes García-Díaz, Odilia Pérez-Camacho

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2023. 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.

Víctor E Comparán-PadillaCentro de Investigación en Química Aplicada, Química Macromolecular y Nanomateriales, Blvd. Enrique Reyna, C.P. 25294, Saltillo, Coahuila, Mexico. victor.comparan@ciqa.edu.mx.ORCID https://orcid.org/0000-0002-8418-2387
María Teresa Romero-de la CruzUniversidad Autónoma de Coahuila, Facultad de Ciencias Físico Matemáticas, Prol. David Berlanga S/N Edif. "A" Unidad Camporredondo, C.P. 25000, Saltillo, Coahuila, Mexico.
Reyes García-DíazCONAHCYT-Universidad Autónoma de Coahuila, Facultad de Ciencias Físico Matemáticas, Prol. David Berlanga S/N Edif. "A" Unidad Camporredondo, C.P. 25000, Saltillo, Coahuila, Mexico.
Odilia Pérez-CamachoCentro de Investigación en Química Aplicada, Química Macromolecular y Nanomateriales, Blvd. Enrique Reyna, C.P. 25294, Saltillo, Coahuila, Mexico.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextBaTiO

methodsThe study was performed through ab initio calculations using the periodic spin-polarized Density Functional Theory (DFT) as implemented in Quantum ESPRESSO. DFT calculations were carried out using the Plane Wave self-consistent field (PWscf). Spin density difference allows us to identify reactive regions related to dangling bonds and unpaired electrons. A plane wave basis set was used to represent the electron states. Vanderbilt pseudopotentials with nonlinear core correction were used to model the ionic cores and valence electrons interaction. Exchange-correlation energies were treated within the generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) parameterization.

Indexed as

Carbon monoxide transformationDFTFormaldehydeGoldPerovskite

Identifiers

PMID37608185

What OpenQuestion holds

Textmetadata
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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.