ArticleJournal of chemical theory and computation2026
Reaction-Diffusion Dynamics Simulations of Bimolecular Quenching in Solution.
Article in Journal of chemical theory and computation, 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
A computational method to simulate bimolecular quenching reactions using coarse-grained reaction-diffusion dynamics is presented and applied to the quenching of molecular photosensitizers in solution. The simulations describe photoinduced reactions involving explicit excited states of light-harvesting species together with intrinsic deactivation, as well as collision quenching from separate quencher species. The simulation methodology is applied to time-resolved quenching of light-harvesting Fe(III) complexes in electron-donating solvents as a prototype system for reaction-diffusion dynamics of experimental interest over a wide range of quencher concentrations. The results show clear signatures for the transition from classical diffusion-limited Stern-Volmer dynamics to close-contact quencher-photosensitizer interactions at high quencher concentrations, and the simulations are used to elucidate physically realistic photosensitizer-quenching collision interaction parameters for photoinduced dynamics beyond the classical Stern-Volmer model. The simulation method provides the means to directly model and analyze system kinetics and dynamics beyond standard theoretical equations, opening up significant opportunities to simulate a broad range of reactions in solutions.
Identifiers
What OpenQuestion 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 OpenQuestion graph.