ArticleJournal of materials chemistry. A2019
Simulation of H
Article in Journal of materials chemistry. A, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 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
7 citing papers in PubMed.
- Beyond PXRD Pattern Matching: Toward Rigorous Structure Determination in Covalent Organic Frameworks.Angewandte Chemie (International ed. in English) · 2026Article
- Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions.Chemical reviews · 2025Review
- Harnessing Pore Size in COF Membranes: A Concentration Gradient-Driven Molecular Dynamics Study on Enhanced HACS applied materials & interfaces · 2025Article
- Article
- Recent advances in simulating gas permeation through MOF membranes.Materials advances · 2021Review
- Understanding COLangmuir : the ACS journal of surfaces and colloids · 2020Article
- Modeling of Gas Transport through Polymer/MOF Interfaces: A Microsecond-Scale Concentration Gradient-Driven Molecular Dynamics Study.Chemistry of materials : a publication of the American Chemical Society · 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
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Grand canonical Monte Carlo (GCMC) simulations are widely used with equilibrium molecular dynamics (EMD) to predict gas adsorption and diffusion in single-crystals of metal-organic frameworks (MOFs). Adsorption and diffusion data obtained from these simulations are then combined to predict gas permeabilities and selectivities of MOF membranes. This GCMC + EMD approach is highly useful to screen a large number of MOFs for a target membrane-based gas separation process. External field non-equilibrium molecular dynamics (NEMD) simulations, on the other hand, can directly compute gas permeation by providing an accurate representation of MOF membranes but they are computationally demanding and require long simulation times. In this work, we performed NEMD simulations to investigate H
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.