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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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書目詳細資料
發表在:Sci Data
Main Authors: Liang, Qiaohao, Dwaraknath, Shyam, Persson, Kristin A.
格式: Artigo
語言:Inglês
出版: Nature Publishing Group UK 2019
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在線閱讀: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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