Application of QM simulations and multivariate analysis in the study of alkene reactivity in the zeolite H-ZSM5

Journal of Chemometrics

Volumn 22, Issue 6, 2008, Pages 372-377

  Gleeson, Duangkamol ^a  

^a KING MONGKUT'S INSTITUTE OF TECHNOLOGY LADKRABANG   (Thailand)

Author keywords

Alkoxide intermediate; ONIOM; QM MM; Zeolite catalysis; ZSM 5

Indexed keywords

DENSITY FUNCTIONAL THEORY; HYDROCARBONS; MULTIVARIANT ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; REACTION INTERMEDIATES;

ALKOXIDE INTERMEDIATE; ALKOXIDES; CLUSTERS MODEL; DENSITY-FUNCTIONAL-THEORY; ONIOM; QUANTUM MECHANICAL; QUANTUM MECHANICAL/MM; QUANTUM-MECHANICAL SIMULATION; ZEOLITE CATALYSE; ZSM-5;

ZEOLITES;

EID: 53649083928     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1139     Document Type: Article

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