ArticleRSC advances2019
New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy.
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 13 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
13 citing papers in PubMed.
- A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules.Journal of chemical theory and computation · 2025Article
- How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations?RSC advances · 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
- Regularized by Physics: Graph Neural Network Parametrized Potentials for the Description of Intermolecular Interactions.Journal of chemical theory and computation · 2023Article
- Dispersion without Many-Body Density Distortion: Assessment on Atoms and Small Molecules.Journal of chemical theory and computation · 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
- The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees.Chemphyschem : a European journal of chemical physics and physical chemistry · 2020Article
- Infrared spectroscopy data- and physics-driven machine learning for characterizing surface microstructure of complex materials.Nature communications · 2020Article
- A collection of forcefield precursors for metal-organic frameworks.RSC advances · 2019Article
- New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 2. Linear-scaling computational algorithms and parallelization.RSC advances · 2019Article
- 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
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Polarizabilities and London dispersion forces are important to many chemical processes. Force fields for classical atomistic simulations can be constructed using atom-in-material polarizabilities and C
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.