Evidence map›Paper›PMID 42587183›Full record

ArticleJournal of molecular modeling2026

Computational study of the CO

Suelen A Santos, Joel Leitão Nascimento, Tiago Vinícius Alves, Roberto Rivelino, Vitor H Menezes da Silva

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Journal of molecular modeling, 2026. 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

5 authors.

Suelen A SantosDepartamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia, Rua Barão de Jeremoabo, 147, Salvador, 40170-115, BA, Brazil.ORCID https://orcid.org/0000-0003-4482-6165
Joel Leitão NascimentoDepartamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia, Rua Barão de Jeremoabo, 147, Salvador, 40170-115, BA, Brazil.ORCID https://orcid.org/0000-0002-9619-7260
Tiago Vinícius AlvesDepartamento de Química, Centro de Ciências Exatas, Universidade Estadual de Londrina, Londrina, 86050-482, PR, Brazil. tiago.alves@uel.br.ORCID https://orcid.org/0000-0001-9129-3272
Roberto RivelinoInstituto de Física, Universidade Federal da Bahia, Salvador, 40210-340, BA, Brazil. rivelino@ufba.br.ORCID https://orcid.org/0000-0003-2679-1640
Vitor H Menezes da SilvaDepartamento de Química, Centro de Ciências Exatas, Universidade Estadual de Londrina, Londrina, 86050-482, PR, Brazil. vmenezesdasilva@uel.br.ORCID https://orcid.org/0000-0002-5254-9025

Funding

Conselho Nacional de Desenvolvimento Científico e Tecnolígico 421795/2022-0 and 403358/2025-6, 309356/2025-3, 153593/2024-5 and 446375/2024-1Fundação de Amparo à Pesquisa do Estado da Bahia 012/2023
6 · The paper itself

Abstract

contextCarbon dioxide (CO

methodsDensity functional theory (DFT) calculations at the B3LYP-D3/def2-TZVP//B3LYP-D3/def2-SVP (LanL2DZ for Cu) level were employed to examine the energy profile of the catalytic cycle. The energy span model (ESM) was used to quantify the turnover frequency (TOF) of the catalytic system. In addition, natural bond orbital (NBO), fuzzy bond order (FBO), and interaction region indicator (IRI) analyses were conducted to investigate the interactions within the complexes that govern the catalytic activity.

Indexed as

Capture of COHomogeneous catalysisHydrogenation reactionOrganometallic compounds

Identifiers

PMID42587183
PMCPMC13469215

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.