Influence of zeolite framework geometry structure on the stability of the [ZnOZn]2+ cluster by periodical density functional theory

Journal of Physical Chemistry B

Volumn 107, Issue 19, 2003, Pages 4532-4536

  Barbosa, Luis Antonio M M ^a   Van Santen, Rutger A ^a  

^a EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPOSITION EFFECTS; CRYSTAL STRUCTURE; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; ZEOLITES;

ELECTROSTATIC INTERACTION; PERIODICAL DENSITY FUNCTIONAL THEORY; ZEOLITE FRAMEWORK GEOMETRY STRUCTURE;

ZINC COMPOUNDS;

EID: 0038390139     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022384g     Document Type: Article

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