DFT cluster modeling of molecular and dissociative hydrogen adsorption on Zn2+ ions with distant placing of aluminum in the framework of high-silica zeolites

Catalysis Letters

Volumn 90, Issue 3-4, 2003, Pages 137-142

  Shubin, A A ^a   Zhidomirov, G M ^a   Kazansky, V B ^b   Van Santen, R A ^c  

^a BORESKOV INSTITUTE OF CATALYSIS   (Russian Federation)

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

^c EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Adsorption of dihydrogen; DFT calculations; Zn zeolite

Indexed keywords

ADSORPTION; ALUMINUM; HYDROGEN; OXYGEN; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; SILICA; ZINC;

DIHYDROGEN; HETEROLYTIC DISSOCIATIVE ADSORPTION; HYDROGEN ADSORPTION; LEWIS ACIDS; PROTON MIGRATION;

ZEOLITES;

EID: 0346991461     PISSN: 1011372X     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:CATL.0000004107.24576.1c     Document Type: Article

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