Automated handling of complex chemical structures in Z-matrix coordinates-The chemcoord library
© 2022 The Authors. Journal of Computational Chemistry published by Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 44(2023), 5 vom: 15. Feb., Seite 710-726 |
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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 Z-matrix analytical gradients geometry optimization non-linear constraints transition state search |
| Accès en ligne |
Volltext |