A Computational Study on Halogen/Halide Redox Mediators and Their Role in

Adriano Pierini, Angelica Petrongari, Vanessa Piacentini, Sergio Brutti, Enrico Bodo

Open access · hybridAbstract read

In one paragraph

Article in The journal of physical chemistry. A, 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

0.4field-weighted citation impact, top 39% 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

0 citing papers in PubMed, 3 citations in OpenAlex.

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 at 1 institution in 1 country.

Adriano PieriniChemistry Department, University of Rome "La Sapienza", P. A. Moro 5, 00185 Rome, Italy.

Angelica PetrongariChemistry Department, University of Rome "La Sapienza", P. A. Moro 5, 00185 Rome, Italy.

Vanessa PiacentiniChemistry Department, University of Rome "La Sapienza", P. A. Moro 5, 00185 Rome, Italy.

Sergio BruttiChemistry Department, University of Rome "La Sapienza", P. A. Moro 5, 00185 Rome, Italy.ORCID 0000-0001-8853-9710

Enrico BodoChemistry Department, University of Rome "La Sapienza", P. A. Moro 5, 00185 Rome, Italy.ORCID 0000-0001-8449-4711

Sapienza University of Rome · IT

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We present a computational study on the redox reactions of small clusters of Li superoxide and peroxide in the presence of halogen/halide redox mediators. The study is based on DFT calculations with a double hybrid functional and an implicit solvent model. It shows that iodine is less effective than bromine in the oxidation of Li

Identifiers

PMID37885210

DOI10.1021/acs.jpca.3c05246

PMCPMC10641837

OpenAlexW4387965433

What OpenQuestion holds

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LicenceCC BY

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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.