Evidence map›Paper›PMID 42827410›Full record

ArticleJournal of computational chemistry2026

Simulating Infrared Spectra of Matrix Isolation Experiments: What Works Best?

Matthew H V Graneri, Dino Spagnoli, Duncan A Wild, Allan J McKinley

Abstract read
In one paragraph

Article in Journal of computational chemistry, 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

4 authors.

Matthew H V GraneriSchool of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, Australia.ORCID https://orcid.org/0000-0002-2146-3069
Dino SpagnoliSchool of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, Australia.ORCID https://orcid.org/0000-0001-6367-4748
Duncan A WildSchool of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, Australia.ORCID https://orcid.org/0000-0002-8436-2847
Allan J McKinleySchool of Molecular Sciences, The University of Western Australia, Crawley, Western Australia, Australia.ORCID https://orcid.org/0000-0002-0046-9365

Funding

Department of Education, Australian Government
6 · The paper itself

Abstract

Matrix isolation is an experimental technique which allows spectroscopists to observe highly reactive or weakly bound systems by trapping them in frozen noble gas matrices. In this work, we studied the viability of using ab initio molecular dynamics (AIMD) to simulate several H

Indexed as

ab initio molecular dynamicsanharmonicitymatrix isolationvibrational spectra

Identifiers

PMID42827410
PMCPMC13633506

What OpenQuestion holds

Textmetadata
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.