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...

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Detalles Bibliográficos
Autores principales: Chojecki, Michał, Rutkowska-Zbik, Dorota, Korona, Tatiana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
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

Internet

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

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