Ab initio energy calculations and macroscopic rate modeling of hydroformylation of higher alkenes by Rh-based catalyst

AIChE Journal

Volumn 55, Issue 12, 2009, Pages 3221-3233

  Shaharun, Maizatul S ^a   Dutta, Binay K ^a   Mukhtar, Hilmi ^a  

^a DEPARTMENT OF CHEMICAL ENGINEERING   (Malaysia)

Author keywords

Ab initio computation; Higher olefins; Homogeneous catalysis; Hydroformylation; Kinetic modeling; Quantum chemical calculation

Indexed keywords

AB INITIO COMPUTATIONS; HIGHER OLEFINS; HOMOGENEOUS CATALYSIS; KINETIC MODELING; QUANTUM CHEMICAL CALCULATIONS;

CATALYSIS; CATALYSTS; HYDROXYLATION; IGNEOUS ROCKS; OLEFINS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; REACTION KINETICS; REGRESSION ANALYSIS; RHODIUM; RHODIUM COMPOUNDS; STYRENE;

HYDROFORMYLATION;

EID: 72149089349     PISSN: 00011541     EISSN: 15475905     Source Type: Journal    
DOI: 10.1002/aic.11936     Document Type: Article

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