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.
Alder
Roger W
RW
School of Chemistry, University of Bristol, Cantock's Close, BS8 1TS, Bristol, UK. rog.alder@bris.ac.uk
Davis
Anthony P
AP
D002384:Catalysis; D004852:Epoxy Compounds / Q000737:chemistry*; D005030:Ethylenes / Q000737:chemistry; D006860:Hydrogen Bonding; D006861:Hydrogen Peroxide / Q000737:chemistry*; D015394:Molecular Structure
D004852:Epoxy Compounds; D005030:Ethylenes; C036216:ethylene; D006861:Hydrogen Peroxide