Influence of plane wave cut-off on structural and electronic properties in Sn-BEA and Ti-BEA zeolite water molecule interaction

Chemical Physics Letters

Volumn 484, Issue 4-6, 2010, Pages 374-379

  Kulkarni, Bhakti S ^a   Krishnamurty, Sailaja ^b   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b CENTRAL ELECTROCHEMICAL RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BEA ZEOLITES; BETA ZEOLITE; CUT-OFF; CUT-OFF VALUE; ENERGY DEPENDENT; PERIODIC SYSTEM; PLANE WAVE; PLANE WAVE BASIS; POTENTIAL METHODS; STRUCTURAL PARAMETER; WEAK INTERACTIONS;

COMMUNICATION CHANNELS (INFORMATION THEORY); ELASTIC WAVES; TIN; ZEOLITES;

ELECTRONIC PROPERTIES;

EID: 72649099392     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.11.041     Document Type: Article

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