β-scission of olefins on acidic zeolites: A periodic PBE-D study in H-ZSM-5

Journal of Physical Chemistry C

Volumn 117, Issue 45, 2013, Pages 23609-23620

  Mazar, Mark N ^a   Al Hashimi, Saleh ^b   Cococcioni, Matteo ^a   Bhan, Aditya ^a  

^a University of Minnesota   (United States)

^b KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

[No Author keywords available]

Indexed keywords

DISPERSION-CORRECTED DENSITY FUNCTIONAL; ENTHALPIC BARRIERS; HYDROCARBON FRAGMENTS; ISOMERIZATION REACTION; MINIMUM ENERGY PATHWAYS; NUDGED ELASTIC BAND METHODS; SUBCATEGORIZATION; TRANSITION STATE;

ACTIVATION ENERGY; ATOMS; ISOMERIZATION; ISOMERS; QUANTUM CHEMISTRY;

OLEFINS;

EID: 84887891630     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp403504n     Document Type: Article

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