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dioxirane

National Institutes of Health

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Epoxy Compounds

Papers overview

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Highly Cited
2011
Highly Cited
2011
Total radical yields from tropospheric ethene ozonolysis.
The gas-phase reactions of ozone with alkenes can be significant sources of free radicals (OH, HO(2) and RO(2)) in the Earth's… 
Highly Cited
2009
Highly Cited
2009
Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations.
Herein we report the first fully quantum mechanical study of enantioselectivity for a large data set. We show that transition… 
2007
2007
Enantioselective epoxidation of conjugated cis-enynes by chiral dioxirane.
This paper describes a highly chemo- and enantioselective epoxidation of conjugated cis-enynes using readily available glucose… 
Highly Cited
2002
Highly Cited
2002
Reaction Modes of Carbonyl Oxide, Dioxirane, and Methylenebis(oxy) with Ethylene: A New Reaction Mechanism
The reaction modes of the three isomers, carbonyl oxide (A), dioxirane (B), and methylenebis(oxy) (C), with ethylene (E) were… 
Highly Cited
2001
Highly Cited
2001
Enantioselective epoxidation of terminal olefins by chiral dioxirane.
[see reaction]. This paper describes an enantioselective epoxidation of terminal olefins using chiral ketone 3 as catalyst and… 
2001
2001
Clean oxidation of thiolates to sulfinates in a four-coordinate CoIII complex with a mixed carboxamido N-thiolato S donor set: relevance to nitrile hydratase.
Highly Cited
2000
Highly Cited
2000
The combination of density functional theory with multi-configuration methods - CAS-DFT
Highly Cited
1997
Highly Cited
1997
Kinetic and Theoretical Investigation of the Gas-Phase Ozonolysis of Isoprene: Carbonyl Oxides as an Important Source for OH Radicals in the Atmosphere
Kinetic measurements as well as B3LYP/ and MP2/6-31G(d,p) calculations provide evidence that carbonyl oxides formed in the gas… 
Highly Cited
1997
Highly Cited
1997
Nature of the Transition Structure for Alkene Epoxidation by Peroxyformic Acid, Dioxirane, and Dimethyldioxirane: A Comparison of B3LYP Density Functional Theory with Higher Computational Levels
The performance of the B3LYP density functional theory calculations has been studied for the epoxidation reactions of ethylene… 
Highly Cited
1979
Highly Cited
1979
Theoretical determination of molecular structure and conformation. 6. The Criegee intermediate. Evidence for a stabilization of its syn form by alkyl substituents
Rayleigh-Schrodinger-Mqller-Plesset (RSMP) perturbation calculations using a split-valence basis augmented by d-type polarization… 
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