Eclipsed Acetaldehyde as a Precursor for Producing Vinyl Alcohol
The MP2 and DFT/B3LYP methods at 6-311++G(d,p) and aug-cc-pdz basis sets have been used to probe the origin of relative stability preference for eclipsed acetaldehyde over its bisected counterpart. A relative energy stability range of 1.02 to 1.20 kcal/mol, in favor of the eclipsed conformer, was fo...
| Main Authors: | , , , , |
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| Format: | Online |
| Language: | English |
| Published: |
Molecular Diversity Preservation International (MDPI)
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3509646/ |