ArticleRSC advances2019
A collection of forcefield precursors for metal-organic frameworks.
Article in RSC advances, 2019. 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
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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.
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Who cites it
12 citing papers in PubMed.
- DFTB Parametrization at the Example of Platinum-Implementation, Validation and Practical Considerations.Journal of computational chemistry · 2026Article
- How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations?RSC advances · 2025Article
- Comparative Study of UMCM-9 Polymorphs: Structural, Dynamic, and Hydrogen Storage Properties via Atomistic Simulations.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Dihedral-torsion model potentials that include angle-damping factors.RSC advances · 2025Article
- easyPARM: Automated, Versatile, and Reliable Force Field Parameters for Metal-Containing Molecules with Unique Labeling of Coordinating Atoms.Journal of chemical theory and computation · 2025Article
- A formally exact theory to construct nonreactive forcefields using linear regression to optimize bonded parameters.RSC advances · 2024Article
- An automated protocol to construct flexibility parameters for classical forcefields: applications to metal-organic frameworks.RSC advances · 2024Article
- Beyond the Status Quo: Density Functional Tight Binding and Neural Network Potentials as a Versatile Simulation Strategy to Characterize Host-Guest Interactions in Metal- and Covalent Organic Frameworks.The journal of physical chemistry letters · 2023Review
- Apples to apples comparison of standardized to unstandardized principal component analysis of methods that assign partial atomic charges in molecules.RSC advances · 2022Article
- Predicting hydrogen storage in MOFs via machine learning.Patterns (New York, N.Y.) · 2021Article
- Seven confluence principles: a case study of standardized statistical analysis for 26 methods that assign net atomic charges in molecules.RSC advances · 2020Article
- Article
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
A host of important performance properties for metal-organic frameworks (MOFs) and other complex materials can be calculated by modeling statistical ensembles. The principle challenge is to develop accurate and computationally efficient interaction models for these simulations. Two major approaches are (i)
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.