Combining computational and in situ spectroscopies joint with molecular modeling for determination of reaction intermediates of deNOx process-CuZSM-5 catalyst case study

Catalysis Today

Volumn 126, Issue 1-2, 2007, Pages 103-111

  Pietrzyk, Piotr ^a   Gil, Barbara ^a   Sojka, Zbigniew ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

CuZSM 5; deNOx mechanism; DFT; Dinitrosyl; EPR; Hyponitrate; IR; IR intensity; NO dimer

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR MODELING; MOLECULAR STRUCTURE; NITROGEN OXIDES; PARAMAGNETIC RESONANCE; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

ANTISYMMETRIC VIBRATIONS; DINITROSYLS; HYPONITRATES;

CATALYSTS;

EID: 34547098864     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2006.09.033     Document Type: Article

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