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The design of organic catalysis for epoxidation by hydrogen peroxide
The potential of various organic species to catalyze epoxidation of ethene by hydrogen peroxide is explored with B3LYP/6-31G* DFT calculations. [Image: see text] ELECTRONIC SUPPLEMENTARY MATERIALS: Supplementary material is available for this article at http://dx.doi.org/10.1007/s00894-005-0044-4.
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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer-Verlag
2005
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3235980/ https://ncbi.nlm.nih.gov/pubmed/16374624 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-005-0044-4 |
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