Tuning the quasi-harmonic treatment of crystalline ionic liquids within the density functional theory
© 2021 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 43(2022), 7 vom: 15. März, Seite 448-456 |
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| Auteur principal: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2022
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article basis set superposition error computational uncertainty density functional error ionic liquids molecular crystals phonons quasi-harmonic approximation |
| Accès en ligne |
Volltext |