Density functional investigations into the siting of Fe and the acidic properties of isomorphously substituted mordenite by B, Al, Ga and Fe

Journal of Molecular Structure: THEOCHEM

Volumn 674, Issue 1-3, 2004, Pages 267-274

  Yuan, S P ^a   Wang, J G ^a   Li, Y W ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

Acidity; Density functional theory; Fe siting; Hydrogen bond; Mordenite

Indexed keywords

ALUMINUM; BORON; GALLIUM; IRON; METAL COMPLEX; MORDENITE; UNCLASSIFIED DRUG; ZEOLITE;

ACIDITY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY; HYDROGEN BOND; PHYSICAL CHEMISTRY; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 1942500855     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00463-9     Document Type: Article

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