Density functional theory study of proton mobility in zeolites: Proton migration and hydrogen exchange in ZSM-5

Journal of Physical Chemistry B

Volumn 104, Issue 30, 2000, Pages 6998-7011

  Ryder, Jason A ^a   Chakraborty, Arup K ^a,b   Bell, Alexis T ^a,b  

^a University of California   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; APPROXIMATION THEORY; CHARGE TRANSFER; CHEMICAL BONDS; PROTONS; RATE CONSTANTS; WATER;

DENSITY FUNCTIONAL THEORY (DFT); DEPROTONATION; PROTON MOBILITY;

ZEOLITES;

EID: 0034247530     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9943427     Document Type: Article

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