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Description of Chiral Complexes within Functional-Group Symmetry-Adapted Perturbation Theory—The Case of (S/R)-Carvone with Derivatives of (−)-Menthol
[Image: see text] Symmetry-adapted perturbation theory (SAPT) and functional-group SAPT (F-SAPT) are applied to examine differences in interaction energies of diastereoisomeric complexes of two chiral molecules of natural origin: (S/R)-carvone with (−)-menthol. The study is extended by including der...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7520888/ https://www.ncbi.nlm.nih.gov/pubmed/32856904 http://dx.doi.org/10.1021/acs.jpca.0c06266 |