Alkane metathesis by tantalum metal hydride on ferrierite: A computational study

Journal of Physical Chemistry C

Volumn 115, Issue 20, 2011, Pages 10087-10096

  Mazar, M N ^a   Al Hashimi, Saleh ^b   Bhan, A ^a   Cococcioni, M ^a  

^a University of Minnesota   (United States)

^b KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

[No Author keywords available]

Indexed keywords

ACID SITE; ACTIVE SITE; CATALYTIC CYCLES; CATALYTIC SYSTEM; COMPUTATIONAL STUDIES; ELEMENTARY STEPS; FER ZEOLITE; FERRIERITE; HIGH STABILITY; HYDROGEN ELIMINATION; HYDROGENATION OF OLEFINS; INTERNAL PORES; METAL HYDRIDES; NUDGED ELASTIC BAND; OLEFIN METATHESIS; TRANSITION STATE GEOMETRY;

ACTIVATION ENERGY; CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DESORPTION; ETHANE; ETHYLENE; GALLIUM; HYDRIDES;

TANTALUM;

EID: 79959976153     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp200756e     Document Type: Article

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