ArticleCrystEngComm2026
Converging
Article in CrystEngComm, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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.
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.
Who cites it
0 citing papers in PubMed.
No citing paper in PubMed yet.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We here explore how some frequently overlooked computational parameters affect the simulation of phonon frequencies in organic molecular crystals within the framework of density functional perturbation theory in a pseudo-core plane wave basis set. Specifically, we investigate how the density of the Fourier grid that is used to map real-space charge density affects the phonon frequencies and eigenvectors. We find that varying the density of this Fourier grid can affect low-frequency phonons by tens of wavenumbers and significantly alter the associated normal mode eigenvectors. Furthermore, we demonstrate that poorly converged charge density representations can lead to substantial errors in simulated thermodynamic quantities, with vibrational free energies affected by 3-4 kJ mol
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Registered trials
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.