ArticleJournal of chemical theory and computation2021
A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water.
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 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
11 citing papers in PubMed, 23 citations in OpenAlex.
- More Converged, Less Accurate? Reassessing Standard Choices for Ab Initio Water Using Machine Learning Potentials.The journal of physical chemistry. B · 2026Article
- Acquiring Focus on Paramagnetic Single-Atom Sites with Fast Magic-Angle Spinning NMR.Journal of the American Chemical Society · 2026Article
- Origin of the pH Dependency of EPR Parameters: The Case of a Protonatable Nitroxide in Aqueous Solution.The journal of physical chemistry letters · 2025Article
- The fellowship of the Grignard: 21st century computational tools for hundred-year-old chemistry.Chemical science · 2025Review
- Solvent-Controlled Separation of Integratively Self-Sorted PdAngewandte Chemie (International ed. in English) · 2025Article
- Radical Anions of Porphyrin Molecular Wires: Delocalization and Dynamics.Journal of the American Chemical Society · 2025Article
- Dissecting the Molecular Origin ofThe journal of physical chemistry. A · 2023Article
- Gauging the importance of structural parameters for hyperfine coupling constants in organic radicals.RSC advances · 2023Article
- Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems.Journal of chemical theory and computation · 2023Article
- Integration of Quantum Chemistry, Statistical Mechanics, and Artificial Intelligence for Computational Spectroscopy: The UV-Vis Spectrum of TEMPO Radical in Different Solvents.Journal of chemical theory and computation · 2022Article
- A Computational Journey across Nitroxide Radicals: From Structure to Spectroscopic Properties and Beyond.Molecules (Basel, Switzerland) · 2021Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The isotropic hyperfine coupling constant (HFCC,
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.