Evidence map›Paper›PMID 39556305›Full record

ArticleJournal of molecular modeling2024

Computational modeling of the Nb

Caio Vinícius Sousa Costa, Leonardo de Souza Barbosa, Ricardo Gargano, David Lima Azevedo

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.

Caio Vinícius Sousa CostaInstituto de Física, Universidade de Brasília, Brasília, DF, Brazil.
Leonardo de Souza BarbosaPrograma de Pós-graduação em Engenharia Espacial, Universidade Estadual do Maranhão, São Luís, MA, Brazil.
Ricardo GarganoInstituto de Física, Universidade de Brasília, Brasília, DF, Brazil. gargano@unb.br.
David Lima AzevedoInstituto de Física, Universidade de Brasília, Brasília, DF, Brazil.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

contextThe transition metal niobium (Nb) has attracted considerable attention from the scientific community due to its intriguing electronic properties and applications in catalysts suitable for chemical reactions. Thus, this work investigates the adsorption of the atmospheric polluting gas carbon monoxide (CO) by the niobium cluster (Nb

methodsInitial three-dimensional structures were constructed. Complete optimization of the geometry was performed in coupled cluster and density functional theory methods. From the optimization configuration, it was possible to investigate the stability, chemisorption process, binding energies, charge analysis, molecular orbital energies, and IR vibrational spectra of the systems.

Indexed as

Binding energiesCharge analysisChemisorption processIR vibrational spectraMolecular orbital energiesNb

Identifiers

PMID39556305

What OpenQuestion holds

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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.