The DFT Approach to predict 13C NMR chemical shifts of hydrocarbon species adsorbed on Zn-modified zeolites

Autor:	Alexander A. Kolganov, Anton A. Gabrienko, Alexander G. Stepanov
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:22241-22249
ISSN:	1463-9084 1463-9076
Popis:	The methodology for chemical shift, δ(13C), calculations for the intermediates and adsorbed species on zeolite catalysts has been proposed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f82cf35ff0f997e35e1ac03ba8b30da7 https://doi.org/10.1039/d2cp02468c Zobrazit plný text záznamu