On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment
© 2024 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 45(2024), 13 vom: 15. Mai, Seite 1017-1032 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2024
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article basis set convergence coupled cluster density functional theory double hybrids electron correlation partial charges |
| Accès en ligne |
Volltext |