ArticleThe journal of physical chemistry letters2021
Accurate Simulations of the Reaction of H
Article in The journal of physical chemistry letters, 2021. 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
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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.
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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.
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Who cites it
7 citing papers in PubMed.
- CRISP: Enhancing ASE Workflows With Advanced Molecular Simulation Post-Processing.Journal of computational chemistry · 2026Article
- Machine learning and data-driven methods in computational surface and interface science.npj computational materials · 2025Review
- Leveraging Machine Learning Potentials for In-Situ Searching of Active sites in Heterogeneous Catalysis.Precision chemistry · 2024Review
- Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces.The journal of physical chemistry letters · 2024Article
- How to simulate dissociative chemisorption of methane on metal surfaces.Frontiers in chemistry · 2024Review
- SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces.Journal of chemical theory and computation · 2023Article
- Quantum and quasi-classical dynamics of the C(Physical chemistry chemical physics : PCCP · 2022Article
Corrections and comments
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Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Theoretical studies on molecule-metal surface reactions have so far been limited to small surface unit cells due to computational costs. Here, for the first time molecular dynamics simulations on very large surface unit cells at the level of density functional theory are performed, allowing a direct comparison to experiments performed on a curved crystal. Specifically, the reaction of D
Identifiers
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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.