ReviewiScience2023
Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling.
Review in iScience, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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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
3 citing papers in PubMed.
- Oxygen Evolution Reaction Catalysts for Acidic-Media COAdvanced materials (Deerfield Beach, Fla.) · 2026Review
- Predictive Chemical Kinetic Modeling: Where We Succeed, Where We Struggle, and What Comes Next.ACS engineering Au · 2026Review
- A DFT study towards dynamic structures of iron and iron carbide and their effects on the activity of the Fischer-Tropsch process.RSC advances · 2023Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Modern heterogeneous catalysis has benefitted immensely from computational predictions of catalyst structure and its evolution under reaction conditions, first-principles mechanistic investigations, and detailed kinetic modeling, which are rungs on a multiscale workflow. Establishing connections across these rungs and integration with experiments have been challenging. Here, operando catalyst structure prediction techniques using density functional theory simulations and
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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.