A combination of the Monte Carlo method and molecular mechanics calculations: A novel way to study the Ti(IV) distribution in titanium silicalite-1

Journal of Physical Chemistry B

Volumn 101, Issue 48, 1997, Pages 10065-10068

  Njo, Swie Lan ^a   Van Koningsveld, Henk ^a   Van De Graaf, Bastiaan ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; COMPOSITION EFFECTS; COMPUTATIONAL METHODS; CRYSTAL LATTICES; CRYSTALLOGRAPHY; ELECTROSTATICS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; TITANIUM COMPOUNDS; ZEOLITES;

LOEWENSTEIN RULE; TITANIUM SILICALITE;

TITANIUM;

EID: 0031276498     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971451h     Document Type: Article

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