Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
Abstract Vibrational circular dichroism (VCD) spectroscopy can generate the data required for the assignment of absolute configuration, but the spectra are hard to interpret. We have recorded VCD data for thirty pairs of small organic compounds and we use this database to validate a method for the a...
Gardado en:
| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
BMC
2023-03-01
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| Series: | Journal of Cheminformatics |
| Assuntos: | |
| Acceso en liña: | https://doi.org/10.1186/s13321-023-00706-y |
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