CATKINAS : A large-scale catalytic microkinetic analysis software for mechanism auto-analysis and catalyst screening
© 2020 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 42(2021), 5 vom: 15. Feb., Seite 379-391 |
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| Auteur principal: | |
| Autres auteurs: | , , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2021
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Newton's method ODE time-integration density functional theory calculation heterogeneous catalysis microkinetics |
| Accès en ligne |
Volltext |