Comparison of all sites for Ti substitution in zeolite TS-1 by an accurate embedded-cluster method

Journal of Physical Chemistry B

Volumn 109, Issue 51, 2005, Pages 24304-24310

  Deka, Ramesh Ch ^a,d   Nasluzov, Vladimir A ^a,b   Ivanova Shor, Elena A ^b   Shor, Alexei M ^b   Vayssilov, Georgi N ^c   Rösch, Notker ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b INSTITUTE OF CHEMISTRY AND CHEMICAL TECHNOLOGY   (Russian Federation)

^c UNIVERSITY OF SOFIA   (Bulgaria)

^d TEZPUR UNIVERSITY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTALLOGRAPHY; DENSITY (OPTICAL); EMBEDDED SYSTEMS; POLARIZATION; SILICON; THERMODYNAMICS; TITANIUM;

CRYSTALLOGRAPHICALLY DIFFERENT TETRAHEDRAL SITES; ELASTIC POLARIZABLE ENVIRONMENT; EMBEDDED-CLUSTER METHOD; SOLID COVALENT SYSTEMS; TI SUBSTITUTION; ZEOLITE TS-1;

ZEOLITES;

EID: 30344446336     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp050056l     Document Type: Article

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