Probing the structural and electronic factors affecting the adsorption and reactivity of alkenes in acidic zeolites using DFT calculations and multivariate statistical methods

Journal of Chemical Information and Modeling

Volumn 45, Issue 5, 2005, Pages 1303-1312

  Tantanak, Duangkamol ^a   Limtrakul, Jumras ^b   Gleeson, Matthew Paul ^b  

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

^b KASETSART UNIVERSITY   (Thailand)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CATALYSIS; CORRELATION METHODS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; REACTION KINETICS;

ADSORPTION ENERGIES; ELECTRONIC FACTORS; QUANTUM MECHANICAL (QM) CLUSTER; TRANSITION STATES;

OLEFINS;

EID: 26944436296     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0500583     Document Type: Article

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