Evidence map›Paper›PMID 41217048›Full record

ArticleJournal of computational chemistry2025

On the Role of Electronic Correlation and State-Specific Environment Polarization in Singlet-Triplet Gap Inversion.

Ester Salvi, Giacomo Agostini, Simone Veglianti, Gustavo Juliani Costa, Luca De Vico, Daniele Padula, Ciro A Guido

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 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

7 authors.

Ester SalviDipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, Alessandria, Italy.ORCID https://orcid.org/0009-0004-0685-8240
Giacomo AgostiniDipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Siena, Italy.
Simone VegliantiDipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Siena, Italy.ORCID https://orcid.org/0009-0005-4688-3165
Gustavo Juliani CostaDipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, Alessandria, Italy.ORCID https://orcid.org/0009-0006-3689-7392
Luca De VicoDipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Siena, Italy.ORCID https://orcid.org/0000-0002-2821-5711
Daniele PadulaDipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Siena, Italy.ORCID https://orcid.org/0000-0002-7171-7928
Ciro A GuidoDipartimento di Scienze e Innovazione Tecnologica, Università del Piemonte Orientale, Alessandria, Italy.ORCID https://orcid.org/0000-0003-1924-2862

Funding

Big Data and Quantum ComputingEuropean Union-NextGenerationEU-PNRR CUP B93C22000620006ICSC-Centro Nazionale di Ricerca in High Performance ComputingMinistero dell'Università e della Ricerca/Italian Ministry of University and Research 2022CXHY3AMissione 4 Componente 2 Investimento 1.4SPOKE 7 Materials & Molecular Sciences
6 · The paper itself

Abstract

Molecules characterized by an inverted singlet-triplet gap (

Indexed as

double‐hybrid density functional theoryelectronic correlationenvironment polarizationexcited statesmultireference electronic structuresinglet–triplet inversionstate specific solvationTDDFTthermally activated delayed fluorescence (TADF)

Identifiers

PMID41217048
PMCPMC12604461

What OpenQuestion holds

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LicenceCC BY
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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.