Ab Initio Energy Calculations and Macroscopic Rate Modeling of Hydroformylation of Higher Alkenes by Rh-Based Catalyst
Ab initio quantum chemical computations have been done to determine the energetics and reaction pathways of hydroformylation of higher alkenes using a rhodium complex homogeneous catalyst. Calculation of fragments of the potential energy surfaces of the HRh(CO)(PPh3)3-catalyzed hydroformylation o...
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| Main Authors: | , , |
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| Format: | Citation Index Journal |
| Published: |
Wiley Subscription Services Inc.
2009
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| Subjects: | |
| Online Access: | http://eprints.utp.edu.my/2486/1/AIChE_J_Proof_July_12.pdf http://eprints.utp.edu.my/2486/2/AIChE_J_Proof_July_12.pdf http://www.interscience.wiley.com http://eprints.utp.edu.my/2486/ |
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