Eric Bushnell - Dissemin

All papers authored by Eric Bushnell

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2022 Jesse B. Elder, Joshua A. Broome, Eric A. C. Bushnell

Computational Insights into the Regeneration of Ovothiol and Ergothioneine and Their Selenium Analogues by Glutathione

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Jesse B. Elder, Eric A. C. Bushnell

An assessment of long‐range corrected density functional approximations in the calculation of the reduction potentials of Ni( S ₂ C ₂ H ₂ ) ₂ , Ni( Se ₂ C ₂ H ₂ ) ₂ , Ni( S ₂ C ₂ H ₂ )( N ₂ C ₂ H ₄ ), and Ni( Se ₂ C

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2021 Eric Bushnell

, Jesse Elder

An Assessment of Long-Range Corrected Density Functional Approximations in the Calculation of the Reduction Potentials of Ni(S2C2H2)2, Ni(Se2C2H2)2, Ni(S2C2H2)(N2C2H4), and Ni(Se2C2H2)(N2C2H4) Complexes

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Wenyuan Zhang, Changmin Lee, Eric A. C. Bushnell

Computational investigation of the reaction of nickel-bis(dithiolene) and nickel-bis(diselenolene) complexes with OH

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2020 Wenyuan Zhang, Eric A. C. Bushnell

A QM/MM Investigation of the Catalytic Mechanism of Acetylene Hydratase: Insights into Engineering a More Effective Enzyme

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Seth A. Friesen, Jesse B. Elder, Eric A. C. Bushnell

Density Functional Theory Investigation of As(III) S-Adenosylmethionine Methyltransferase

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2019 Mariam A. Mehdi, Eric A. C. Bushnell

, Sahar Nikoo, James W. Gauld

, James R. Green

Generation and Reactions of a Benzodehydrotropylium Ion–Co2(CO)6 Complex

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Kelly P. Abad, Eric A. C. Bushnell

Computational Investigation into the Ni(SeNHC2(CN)2)2 and Ni(SNHC2(CN)2)2 Complexes as Potential Catalysts for Hydrogen Production

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Derek Harris, Eric Bushnell

Density Functional Theory Study of the Capture and Release of Carbon Dioxide by Benzyl–Disulfide, −Diselenide, and −Ditelluride

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Jacqueline Wiebe

, Vasyl Zaliskyy, Eric A. C. Bushnell

A Computational Investigation of the Binding of the Selenium Analogues of Ergothioneine and Ovothiol to Cu(I) and Cu(II) and the Effect of Binding on the Redox Potential of the Cu(II)/Cu(I) Redox Couple

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2018 Eric A. C. Bushnell

The oxygen-atom transfer reactions of Mo-diselenolene biomimetic complexes: A computational investigation

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2017 Eric A. C. Bushnell

, Matt R. Adams, Russell J. Boyd

A computational investigation into the redox chemistry of Mo- and W-tris(diselenolene) complexes

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2016 Eric A. C. Bushnell

A Computational Investigation Into The Catalytic Activity Of A Diselenolene Sulfite Oxidase Biomimetic Complex

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Stephanie M. Forget, Eric A. C. Bushnell

, Russell J. Boyd, David L. Jakeman

The acidity of beta-phosphoglucomutase monofluoromethylenephosphonate ligands probed by NMR spectroscopy and quantum mechanical methods

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2015 Eric A. C. Bushnell

, Russell J. Boyd

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Eric A. C. Bushnell

, Russell J. Boyd

Assessment of Several DFT Functionals in Calculation of the Reduction Potentials for Ni–, Pd–, and Pt–Bis-ethylene-1,2-dithiolene and -Diselenolene Complexes

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2014 Matt R. Adams, T. Bruce Grindley, Eric A. C. Bushnell

, T. Bruce Grindley, Russell J. Boyd

Organotin bond dissociation energies: An interesting challenge for contemporary computational methods

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Eric A. C. Bushnell

, Thomas D. Burns, Russell J. Boyd

The one-electron oxidation of a dithiolate molecule: The importance of chemical intuition

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Eric A. C. Bushnell

, Thomas D. Burns, Russell J. Boyd

The one-electron reduction of dithiolate and diselenolate ligands

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2013 Phil De Luna, Eric A. C. Bushnell

, James W. Gauld

A Molecular Dynamics Examination on Mutation-Induced Catalase Activity in Coral Allene Oxide Synthase

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All papers authored by Eric Bushnell