Structure of hydrated microporous aluminophosphates: Static and molecular dynamics approaches of AlPO4-34 from first principles calculations

Journal of Physical Chemistry B

Volumn 106, Issue 34, 2002, Pages 8599-8608

  Poulet, Guillaume ^a,b   Sautet, Philippe ^a,b   Tuel, Alain ^a  

^a CNRS   (France)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; COMPUTER SIMULATION; HYDRATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; X RAY DIFFRACTION; ZEOLITES;

STRUCTURAL MODIFICATION;

MICROPOROUS MATERIALS;

EID: 0037194996     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020533p     Document Type: Article

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