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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...

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Detalles Bibliográficos
Autores principales: Liang, Qiaohao, Dwaraknath, Shyam, Persson, Kristin A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
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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