Reassessing the Role of σ Holes in Noncovalent Interactions: It is Pauli Repulsion that Counts
A number of prototypical weak electron donor–electron acceptor complexes are investigated by the Symmetry Adapted Perturbation Theory, some of which belong to novel classes of weak bonds such as halogen and chalcogen bonds. Also included are complexes involving strong Lewis acids such as BeO and AuF...
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| Principais autores: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2022-04-01
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| Colecção: | Frontiers in Chemistry |
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| Acesso em linha: | https://www.frontiersin.org/articles/10.3389/fchem.2022.858946/full |
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