title: The design of organic catalysis for epoxidation by hydrogen peroxide.
abstract: The potential of various organic species to catalyze epoxidation of ethene by hydrogen peroxide is explored with B3LYP/6-31G* DFT calculations.
authors.affiliation: School of Chemistry, University of Bristol, Cantock's Close, BS8 1TS, Bristol, UK. rog.alder@bris.ac.uk
authors.forename: Roger W
authors.initials: RW
authors.lastname: Alder
authors.forename: Anthony P
authors.initials: AP
authors.lastname: Davis
mesh_terms: D002384:Catalysis; D004852:Epoxy Compounds / Q000737:chemistry*; D005030:Ethylenes / Q000737:chemistry; D006860:Hydrogen Bonding; D006861:Hydrogen Peroxide / Q000737:chemistry*; D015394:Molecular Structure
chemical_list: D004852:Epoxy Compounds; D005030:Ethylenes; C036216:ethylene; D006861:Hydrogen Peroxide