ArticleJournal of molecular modeling2019
Performance of DFT methods in the calculation of isotropic and dipolar contributions to
Article in Journal of molecular modeling, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 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
6 citing papers in PubMed.
- Effect of Hydrostatic Pressure on theThe journal of physical chemistry letters · 2025Article
- 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.Journal of chemical theory and computation · 2021Article
- Performance of the DLPNO-CCSD and recent DFT methods in the calculation of isotropic and dipolar contributions toJournal of molecular modeling · 2021Article
- Benchmarking Magnetizabilities with Recent Density Functionals.Journal of chemical theory and computation · 2021Article
- Computation of NMR Shielding Constants for Solids Using an Embedded Cluster Approach with DFT, Double-Hybrid DFT, and MP2.Journal of chemical theory and computation · 2020Article
- How accurate is density functional theory in predicting spin density? An insight from the prediction of hyperfine coupling constants.Journal of molecular modeling · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
Abstract
In the present study, we tested the widely used density functionals BP86, PBE, OLYP, TPSS, M06-L, B3LYP, PBE0, mPW1PW, B97, BHandHLYP, TPSS0, M06, M06-2X, CAM-B3LYP, ωB97x, and B2PLYP with the cc-pCVQZ basis set in calculations on a set of 23 nitroxide radicals with well-resolved
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30859325What 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.