ArticleChemical science2020
Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates.
Article in Chemical science, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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
12 citing papers in PubMed, 27 citations in OpenAlex.
- Light-Induced Selective Control of Excitonic States in Supramolecular Nanotubes.Journal of the American Chemical Society · 2026Article
- Crystallochromism: A Hybrid Model for the Spectral Properties of Quinacridone Polymorphs.Journal of chemical theory and computation · 2025Article
- Linear Dichroism Microscopy Resolves Competing Structural Models of a Synthetic Light-Harvesting Complex.Journal of the American Chemical Society · 2025Article
- Application of the Time-Domain Multichromophoric Fluorescence Resonant Energy Transfer Method in the NISE Programme.Journal of chemical theory and computation · 2025Article
- Near-atomic-resolution structure of J-aggregated helical light-harvesting nanotubes.Nature chemistry · 2024Article
- Spatial Correlations Drive Long-Range Transport and Trapping of Excitons in Single H-Aggregates: Experiment and Theory.The journal of physical chemistry letters · 2024Article
- Watching Molecular Nanotubes Self-Assemble in Real Time.Journal of the American Chemical Society · 2023Article
- Manifestation of Hydrogen Bonding and Exciton Delocalization on the Absorption and Two-Dimensional Electronic Spectra of Chlorosomes.The journal of physical chemistry. B · 2023Article
- Modelling structural properties of cyanine dye nanotubes at coarse-grained level.Nanoscale advances · 2022Article
- Cryogenic TEM imaging of artificial light harvesting complexes outside equilibrium.Scientific reports · 2022Article
- Molecular versus Excitonic Disorder in Individual Artificial Light-Harvesting Systems.Journal of the American Chemical Society · 2020Article
- Multiscale modeling of molecular structure and optical properties of complex supramolecular aggregates.Chemical science · 2020Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
8 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Supramolecular aggregates of synthetic dye molecules offer great perspectives to prepare biomimetic functional materials for light-harvesting and energy transport. The design is complicated by the fact that structure-property relationships are hard to establish, because the molecular packing results from a delicate balance of interactions and the excitonic properties that dictate the optics and excited state dynamics, in turn sensitively depend on this packing. Here we show how an iterative multiscale approach combining molecular dynamics and quantum mechanical exciton modeling can be used to obtain accurate insight into the packing of thousands of cyanine dye molecules in a complex double-walled tubular aggregate in close interaction with its solvent environment. Our approach allows us to answer open questions not only on the structure of these prototypical aggregates, but also about their molecular-scale structural and energetic heterogeneity, as well as on the microscopic origin of their photophysical properties. This opens the route to accurate predictions of energy transport and other functional properties.
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.