Nudged elastic stiffness band method : A method to solve kinks problems of reaction paths
© 2023 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 23 vom: 05. Sept., Seite 1884-1897 |
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| Auteur principal: | |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2023
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article chemical calculations chemical reactions energy nudged elastic band optimization |
| Accès en ligne |
Volltext |