ArticleJournal of molecular modeling2026
Theoretical studies to understand the
Article in Journal of molecular modeling, 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
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextHydroxyl (
methodsDensity functional theory (DFT) calculations were performed using the M06-2X functional present in the Gaussian 09 software package. Geometry optimisations and frequency calculations for the RAF, HAT, and SET pathways were carried out with 6-31G(d) basis set in the gaseous phase, followed by single-point energy calculations at the M06-2X/6-311+G(d,p) level of theory in gaseous and aqueous phases. Solvent effects were included using the polarizable continuum model (PCM). The reaction free energies (
Indexed as
Identifiers
42814161What Socratic holds
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 Socratic graph.