Production of acrylic acid through nickel-mediated coupling of ethylene and carbon dioxide - A DFT study
The production of acrylic acid (CH2=CHCO2H) via homogeneous nickel-mediated coupling of ethylene (CH2=CH2) and carbon dioxide (CO2) is industrially unattractive at present due to its stoichiometric, rather than catalytic, reaction profile. We utilize density functional theory (DFT) to describe the p...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Published: |
ACS Publications
2007
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/47030 |
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