Evidence map›Paper›PMID 41824014›Full record

ArticleThe journal of physical chemistry letters2026

A Qualitative Approach for Predicting Enhanced Intersystem Crossing in Chromophore-Radical Systems.

Yash H Patel, Philip S Weiss, Ilya D Dergachev, Claudia E Avalos

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry letters, 2026. 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

4 authors.

Yash H PatelDepartment of Chemistry, New York University, New York, New York 10003, United States.
Philip S WeissDepartment of Chemistry, New York University, New York, New York 10003, United States.
Ilya D DergachevDepartment of Chemistry, New York University, New York, New York 10003, United States.
Claudia E AvalosDepartment of Chemistry, New York University, New York, New York 10003, United States.ORCID 0000-0001-6412-0237

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Enhanced Intersystem Crossing (EISC) is an important mechanism that allows for formally forbidden population transfer from the singlet to triplet manifold in chromophore-radical (C-R) systems. We use first order perturbation theory to estimate the likelihood of EISC in various organic C-R molecules. The first order mixing coefficient κ between the states involved in EISC depends on the difference in pairwise exchange interactions between photoexcited chromophore electrons and the radical. Exchange coupling constants were calculated with the Heisenberg-Dirac-Van Vleck Hamiltonian using excited state wave functions and energies obtained from the CASSCF/QD-NEVPT2 calculations. The predictions derived using this framework are in a good agreement with the available experimental data on EISC observed with transient absorption spectroscopy.

Identifiers

PMID41824014
PMCPMC13034466

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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.