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DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting
[Image: see text] A combined experimental and theoretical approach, consisting of lattice phonon Raman spectroscopy and density functional theory (DFT) calculations, is proposed as a tool for lattice dynamics characterization and polymorph phase identification. To illustrate the reliability of the m...
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| Опубликовано в: : | J Phys Chem Lett |
|---|---|
| Главные авторы: | , , , , , , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American Chemical
Society
2017
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5545759/ https://ncbi.nlm.nih.gov/pubmed/28731723 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.7b01634 |
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