A DFT study of hydrogen-deuterium exchange over oxidized and reduced gallium species in Ga/HZSM-5 zeolite

Catalysis Letters

Volumn 108, Issue 3-4, 2006, Pages 187-191

  Kuzmin, Ilya V ^a   Zhidomirov, Georgy M ^b   Hensen, Emiel J M ^c  

^a N D ZELINSKY INSTITUTE OF ORGANIC CHEMISTRY   (Russian Federation)

^b BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

DFT; Exchange; Ga ZSM 5; Gallium; Hydrogen activation; Isotopes; Zeolite

Indexed keywords

DISSOCIATION; GALLIUM; HYDROGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

GA/ZSM-5; HYDROGEN ACTIVATION; NEUTRAL GALLIUM OXIDE CLUSTERS;

DEUTERIUM;

EID: 33646401147     PISSN: 1011372X     EISSN: 1572879X     Source Type: Journal    
DOI: 10.1007/s10562-006-0043-9     Document Type: Article

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