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High-throughput computation and evaluation of raman spectra
Raman spectroscopy is used ubiquitously in the characterization of condensed materials, spanning from biomaterials, minerals to polymers, as it provides a unique fingerprint of local bonding and environment. In this work, we design and demonstrate a robust, automatic computational workflow for Raman...
Autores principales: | Liang, Qiaohao, Dwaraknath, Shyam, Persson, Kristin A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659686/ https://www.ncbi.nlm.nih.gov/pubmed/31350415 http://dx.doi.org/10.1038/s41597-019-0138-y |
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