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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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Bibliografski detalji
Izdano u:Sci Data
Glavni autori: Liang, Qiaohao, Dwaraknath, Shyam, Persson, Kristin A.
Format: Artigo
Jezik:Inglês
Izdano: Nature Publishing Group UK 2019
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6659686/
https://ncbi.nlm.nih.gov/pubmed/31350415
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-019-0138-y
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