From electron density flow towards activation: Benzene interacting with Cu(I) and Ag(I) sites in ZSM-5. DFT modeling

Catalysis Letters

Volumn 126, Issue 3-4, 2008, Pages 241-246

  Kozyra, P ^a   Zalucka J ^a   Mitoraj, M ^a   Broclawik E ^b   Datka, J ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

Author keywords

Benzene activation; Cu(I) sites; DFT modeling

Indexed keywords

ASTROPHYSICS; CHARGE TRANSFER; COPPER; DENSITY FUNCTIONAL THEORY; FLOW INTERACTIONS; ION EXCHANGE; PROBABILITY DENSITY FUNCTION; SILVER COMPOUNDS; ZEOLITES;

ACTIVATION ABILITIES; BACK DONATIONS; CHARGE TRANSFER PROCESSES; COPPER SITES; CU(I) SITES; D ORBITALS; DFT MODELING; ELECTRON DENSITIES; ELECTRON RESERVOIRS; IR FREQUENCIES; RED SHIFTS;

BENZENE;

EID: 55849136527     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-008-9620-4     Document Type: Article

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