An automated method for graph-based chemical space exploration and transition state finding
© 2022 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 1 vom: 05. Jan., Seite 27-42 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2023
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article activation energy automation chemical reactions chemical space cheminformatics graph theory organic reactions quantum chemical calculations reaction network |
| Accès en ligne |
Volltext |