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Benchmarking Magnetizabilities with Recent Density Functionals
[Image: see text] We have assessed the accuracy of the magnetic properties of a set of 51 density functional approximations, including both recently published and already established functionals. The accuracy assessment considers a series of 27 small molecules and is based on comparing the predicted...
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| 出版年: | J Chem Theory Comput |
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| 主要な著者: | , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
American
Chemical Society
2021
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| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8023670/ https://ncbi.nlm.nih.gov/pubmed/33599491 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01190 |
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