The DFT Approach to predict C NMR chemical shifts of hydrocarbon species adsorbed on Zn-modified zeolites

13 C MAS NMR spectroscopy is a powerful technique to study the mechanisms of hydrocarbon transformations on heterogeneous catalysts. It can reliably identify the surface intermediates and the adsorbed products based on the analysis of their 13 C chemical shifts, δ ( 13 C). However, the unambiguous a...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2022-09, Vol.24 (36), p.22241-22249
Hauptverfasser:	Kolganov, Alexander A, Gabrienko, Anton A, Stepanov, Alexander G
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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