Titanium-containing zeolites. a periodic ab initio hartree-fock characterization

Journal of Physical Chemistry B

Volumn 102, Issue 8, 1998, Pages 1411-1417

  Zicovich Wilson, C M ^a,b   Dovesi, R ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CATALYSTS; CRYSTAL STRUCTURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; QUANTUM THEORY; TITANIUM COMPOUNDS;

HARTREE FOCK CHARACTERIZATION; SOFTWARE PACKAGE CRYSTAL;

ZEOLITES;

EID: 0032002512     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972343y     Document Type: Article

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