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Improving the IR spectra alignment algorithm with spectra deconvolution and combination with Raman or VCD spectroscopy
The relative stereochemistry of organic molecules can be determined by comparing theoretical and experimental infrared (IR) spectra of all isomers and assessing the best match. For this purpose, we have recently developed the IR spectra alignment (IRSA) algorithm for automated optimal alignment. IRS...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9847344/ https://www.ncbi.nlm.nih.gov/pubmed/36546852 http://dx.doi.org/10.1039/d2cp04907d |