Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches

标题
Quantitative structural determination of active sites from in situ and operando XANES spectra: From standard ab initio simulations to chemometric and machine learning approaches
作者
关键词
Operando, XANES, Structure determination, Time dependent DFT, Finite difference method, Multivariate curve resolution, Machine learning
出版物
CATALYSIS TODAY
Volume -, Issue -, Pages -
出版商
Elsevier BV
发表日期
2018-11-09
DOI
10.1016/j.cattod.2018.10.071

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