Effect of the Al siting on the structure of Co(II) and Cu(II) cationic sites in ferrierite. A periodic DFT molecular dynamics and FTIR study

Journal of Physical Chemistry C

Volumn 117, Issue 8, 2013, Pages 3958-3968

  Sklenak, Stepan ^a   Andrikopoulos, Prokopis C ^a   Whittleton, Sarah R ^a   Jirglova, Hana ^a   Sazama, Petr ^a   Benco, Lubomir ^b,d   Bucko, Tomas ^b,c,d   Hafner, Juergen ^b   Sobalik, Zdenek ^a  

^a INSTITUTE OF MATHEMATICS   (Czech Republic)

^b UNIVERSITY OF VIENNA   (Austria)

^c Faculty of Natural Sciences   (Slovakia)

^d INSTITUTE OF CHEMISTRY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; ALUMINUM METALLOGRAPHY; BINDING ENERGY; BINDING SITES; COBALT COMPOUNDS; COBALT METALLOGRAPHY; COMPLEXATION; COPPER METALLOGRAPHY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; POSITIVE IONS; ZEOLITES;

ADSORPTION ENERGIES; CATIONIC SITES; COMPUTATIONAL RESULTS; FTIR SPECTROSCOPY; LOCAL STRUCTURE; RELATIVE BINDING ENERGIES; SIX-MEMBERED RINGS; STRETCHING FREQUENCY;

COPPER COMPOUNDS;

EID: 84874593925     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp310236d     Document Type: Article

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