Evidence map›Paper›PMID 42799153›Full record

ArticleACS physical chemistry Au2026

Computational Investigation of the Effect of Transition Metal Coordination in Bimetallic Uranylpyridine-Dicarboxylate Complexes.

Keerthan R Rao, Heather J Culbertson, Shuxiang Zhou, Peter C Burns, Tori Z Forbes, Ashini S Jayasinghe

Abstract read
In one paragraph

Article in ACS physical chemistry Au, 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

6 authors.

Keerthan R RaoIdaho National Laboratory, Idaho Falls, Idaho 83401, United States.
Heather J CulbertsonIdaho National Laboratory, Idaho Falls, Idaho 83401, United States.
Shuxiang ZhouIdaho National Laboratory, Idaho Falls, Idaho 83401, United States.ORCID https://orcid.org/0000-0002-5029-1251
Peter C BurnsDepartment of Civil and Environmental Engineering and Earth Sciences, University of Notre Dame, Notre Dame, Indiana 46556, United States.ORCID https://orcid.org/0000-0002-2319-9628
Tori Z ForbesDepartment of Chemistry, The University of Iowa, Iowa City, Iowa 52242, United States.ORCID https://orcid.org/0000-0002-5234-8127
Ashini S JayasingheIdaho National Laboratory, Idaho Falls, Idaho 83401, United States.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding how secondary metal coordination perturbs uranyl electronic structure is important for developing structure-property relationships in actinide-containing materials relevant to separations, waste management, and environmental chemistry. In this work, periodic and cluster density functional theory calculations were used to investigate the structural, electronic, and vibrational properties of monometallic U-2,6-pyridinedicarboxylic acid (PDC) and heterometallic U-PDC-TM complexes (TM = Fe, Co, Ni, Cu, and Zn). Incorporating transition metal (TM) changes the valence-band electronic structure of the U-PDC-TM framework due to TM

Indexed as

band structurescharge density differences and partial chargesdensity of stateheterometallicRamantransition metaluranyl complexes

Identifiers

PMID42799153
PMCPMC13614035

What OpenQuestion holds

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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.