Assessment of DFT Functionals for Predicting the Magnetic Exchange Coupling Constants of Nonalternant Hydrocarbon Diradicals : The Role of Hartree-Fock Exchange
© 2024 The Author(s). Journal of Computational Chemistry published by Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 46(2025), 1 vom: 05. Jan., Seite e27531 |
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| Auteur principal: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2025
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article DFT functionals hydrocarbon magnetic exchange coupling constant non‐alternant |
| Accès en ligne |
Volltext |