The impact of finite temperature on the coordination of Cu cations in the zeolite SSZ-13

Catalysis Today

Volumn 267, Issue , 2016, Pages 41-46

  Göltl, Florian ^a   Sautet, Philippe ^b   Hermans, Ive ^a,c  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b Laboratoire de Chimie Organique   (France)

^c University of Wisconsin Madison   (United States)

Author keywords

Ab initio molecular dynamics; Cu SSZ13; Selective catalytic reduction; Zeolite structures

Indexed keywords

MOLECULAR DYNAMICS; NITROGEN OXIDES; POSITIVE IONS; REACTION KINETICS; REGRESSION ANALYSIS;

AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; CHARACTERIZATION METHODS; FINITE TEMPERATURES; FUNDAMENTAL PROPERTIES; PROBE MOLECULES; REACTION PATH ANALYSIS; ZEOLITE STRUCTURE;

SELECTIVE CATALYTIC REDUCTION;

EID: 84949668527     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2015.10.028     Document Type: Article

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