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On the Use of Popular Basis Sets: Impact of the Intramolecular Basis Set Superposition Error
The magnitude of intramolecular basis set superposition error (BSSE) is revealed via computing systematic trends in molecular properties. This type of error is largely neglected in the study of the chemical properties of small molecules and it has historically been analyzed just in the study of larg...
Tallennettuna:
| Julkaisussa: | Molecules |
|---|---|
| Päätekijät: | , , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
MDPI
2019
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6832644/ https://ncbi.nlm.nih.gov/pubmed/31652663 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24203810 |
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