Proton mobility in chabazite, faujasite, and ZSM-5 zeolite catalysts. Comparison based on ab initio calculations

Journal of Physical Chemistry B

Volumn 105, Issue 8, 2001, Pages 1603-1613

  Sierka, Marek ^a   Sauer, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; ATOMS; CALCULATIONS; ELECTRON TRANSPORT PROPERTIES; ELECTRON TUNNELING; MOLECULAR STRUCTURE; OXYGEN; POTENTIAL ENERGY; PROTONS; RATE CONSTANTS; SURFACES; TEMPERATURE;

CHABAZITE; CLASSICAL TRANSITION STATE THEORY; FAUJASITE; INTERATOMIC POTENTIAL FUNCTION; PROTON JUMP; PROTON TRANSFER REACTION RATES; PROTON TUNNELING EFFECTS; SIX MEMBERED ALUMINOSILICATE RINGS; ZEOLITE;

CATALYSTS;

EID: 0035281070     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp004081x     Document Type: Article

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