Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning

LIU, Y., MARCELLA, N., TIMOSHENKO, J., HALDER, A., YANG, B., KOLIPAKA, L., PELLIN, M. J., SEIFERT, S., VAJDA, Štefan, LIU, P., FRENKEL, A. I. Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning. Journal of Chemical Physics. 2019, 151(16), 164201. ISSN 0021-9606. E-ISSN 1089-7690. Dostupné z: doi: 10.1063/1.5126597.