| 1 |
Density Functional Theory Applied to a Difference in Pathways Taken by the Enzymes Cytochrome P450 and Superoxide Reductase: Spin States of Ferric Hydroperoxo Intermediates and Hydrogen Bonds from Water
Surawatanawong P, Tye JW, Hall MB
Inorganic Chemistry, 49(1), 188, 2010 |
| 2 |
Computational Studies of the Relative Rates for Migratory Insertions of Alkenes into Square-Planar, Methyl, -Amido, and -Hydroxo Complexes of Rhodium
Tye JW, Hartwig JF
Journal of the American Chemical Society, 131(41), 14703, 2009 |
| 3 |
Refining the active site structure of iron-iron hydrogenase using computational infrared spectroscopy
Tye JW, Darensbourg MY, Hall MB
Inorganic Chemistry, 47(7), 2380, 2008 |
| 4 |
Copper complexes of anionic nitrogen ligands in the amidation and imidation of aryl halides
Tye JW, Weng Z, Johns AM, Incarvito CD, Hartwig JF
Journal of the American Chemical Society, 130(30), 9971, 2008 |
| 5 |
Computational studies of [NiFe] and [FeFe] hydrogenases
Siegbahn PEM, Tye JW, Hall MB
Chemical Reviews, 107(10), 4414, 2007 |
| 6 |
Assignment of molecular structures to the electrochemical reduction products of diiron compounds related to [Fe-Fe] hydrogenase: A combined experimental and density functional theory study
Borg SJ, Tye JW, Hall MB, Best SP
Inorganic Chemistry, 46(2), 384, 2007 |
| 7 |
De novo design of synthetic di-iron(I) complexes as structural models of the reduced form of iron-iron hydrogenase
Tye JW, Darensbourg MY, Hall MB
Inorganic Chemistry, 45(4), 1552, 2006 |
| 8 |
Relative rates for the amination of eta(3)-allyl and eta(3)-benzyl complexes of palladium
Johns AM, Tye JW, Hartwig JF
Journal of the American Chemical Society, 128(50), 16010, 2006 |
| 9 |
Dual electron uptake by simultaneous iron and ligand reduction in an N-heterocyclic carbene substituted [FeFe] hydrogenase model compound
Tye JW, Lee J, Wang HW, Mejia-Rodriguez R, Reibenspies JH, Hall MB, Darensbourg MY
Inorganic Chemistry, 44(16), 5550, 2005 |
