Evidence map›Paper›PMID 40635391›Full record

ArticleJournal of computational chemistry2025

A DFT-Based Protocol for Modeling the Structure and Reactivity of Gold(III) Complexes.

Luana P P Cunha, Larissa P N M Pinto, Willian T G Novato, Hélio F Dos Santos, Diego F S Paschoal

Abstract read
In one paragraph

Article in Journal of computational chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Self-propelled thiol functionalized SiOScientific reports · 2026
    Article
  2. 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

5 authors.

Luana P P CunhaNQTCM: Núcleo de Química Teórica e Computacional de Macaé, Polo Ajuda, Instituto Multidisciplinar de Química, Centro Multidisciplinar UFRJ-Macaé, Universidade Federal do Rio de Janeiro, Macaé, Rio de Janeiro, Brazil.ORCID https://orcid.org/0009-0005-2909-1238
Larissa P N M PintoNQTCM: Núcleo de Química Teórica e Computacional de Macaé, Polo Ajuda, Instituto Multidisciplinar de Química, Centro Multidisciplinar UFRJ-Macaé, Universidade Federal do Rio de Janeiro, Macaé, Rio de Janeiro, Brazil.ORCID https://orcid.org/0000-0003-3891-5292
Willian T G NovatoNQTCM: Núcleo de Química Teórica e Computacional de Macaé, Polo Ajuda, Instituto Multidisciplinar de Química, Centro Multidisciplinar UFRJ-Macaé, Universidade Federal do Rio de Janeiro, Macaé, Rio de Janeiro, Brazil.ORCID https://orcid.org/0000-0001-7281-7245
Hélio F Dos SantosNEQC: Núcleo de Estudos em Química Computacional, Departamento de Química - ICE, Universidade Federal de Juiz de Fora, Campus Universitário, Juiz de Fora, Minas Gerais, Brazil.ORCID https://orcid.org/0000-0003-0196-2642
Diego F S PaschoalNQTCM: Núcleo de Química Teórica e Computacional de Macaé, Polo Ajuda, Instituto Multidisciplinar de Química, Centro Multidisciplinar UFRJ-Macaé, Universidade Federal do Rio de Janeiro, Macaé, Rio de Janeiro, Brazil.ORCID https://orcid.org/0000-0003-0817-2379

Funding

Conselho Nacional de Desenvolvimento Científico e Tecnológico 307018/2021-0Coordenação de Aperfeiçoamento de Pessoal de Nível Superior Finance Code 001Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro E-26/010.002261/2019-EMERGENTESFundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro E-26/200.934/2018-BOLSAFundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro E-26/201.336/2022-BOLSAFundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro E-26/210.070/2022-DCTRFundação de Amparo à Pesquisa do Estado de Minas Gerais APQ-01772-24PIBIC-UFRJ
6 · The paper itself

Abstract

In this study, distinct computational protocols were employed to investigate the structure and kinetic properties of the aquation reaction of the [Au(dien-H)Cl]

Indexed as

basis setcomputational protocolsDFTgold complexesrelativistic effects

Identifiers

PMID40635391
PMCPMC12242115

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.