Cu+, Ag+ and Na+ Cationic Sites in ZSM-5 Interacting with Benzene: DFT Modeling

Studies in Surface Science and Catalysis

Volumn 174, Issue SUPPL. PART A, 2008, Pages 709-712

  Zalucka, Joanna ^a   Kozyra, Pawel ^a   Mitoraj, Mariusz ^a   Broclawik, Ewa ^b   Datka, Jerzy ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

benzene; DFT; TMI sites; ZSM 5

Indexed keywords

BACK DONATIONS; CATIONIC SITES; CHEMICAL VALENCES; CLUSTER MODELS; DFT; DFT CALCULATIONS; DFT MODELING; ELECTRON DENSITIES; GEOMETRIC STRUCTURES; NATURAL ORBITALS; SPECIFIC ADSORPTIONS; TMI SITES; ZSM-5;

ADSORPTION; BENZENE; ELECTRONIC PROPERTIES; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SILICATE MINERALS; SULFUR COMPOUNDS;

ZEOLITES;

EID: 56049085582     PISSN: 01672991     EISSN: None     Source Type: Book Series    
DOI: 10.1016/S0167-2991(08)80295-9     Document Type: Article

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