Publications by authors named "Russell Boyd"

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The Nobel history of computational chemistry. A personal perspective.
Russell J Boyd

J Comput Chem· August 2024

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Lewis Acid-Mediated Cyclization of Allenyl Aryl Ketones.
Mariam Zaky, Zhe Li, Timothy D R Morgan, François M LeFort, Russell J Boyd

J Org Chem· November 2019

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An Electron Density Source-Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States.
Carlo Gatti, Giovanni Macetti, Russell J Boyd, Chérif F Matta

J Comput Chem· July 2018

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Computational Study of Engineered Cytochrome P450-Catalyzed C-H Amination: The Origin of the Regio- and Stereoselectivity.
Zhe Li, D Jean Burnell, Russell J Boyd

J Phys Chem B· December 2017

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The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations: Applications to Enzymatic Reactions.
Eric André C Bushnell, Victoria Erica J Berryman, James W Gauld, Russell J Boyd

Adv Protein Chem Struct Biol· July 2016

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Computational Examination of (4 + 3) versus (3 + 2) Cycloaddition in the Interception of Nazarov Reactions of Allenyl Vinyl Ketones by Dienes.
Zhe Li, Russell J Boyd, D Jean Burnell

J Org Chem· December 2015

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Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin.
Victoria E J Berryman, Russell J Boyd, Erin R Johnson

J Chem Theory Comput· July 2015

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Molecular docking study of macrocycles as Fk506-binding protein inhibitors.
Corey A MacDonald, Russell J Boyd

J Mol Graph Model· June 2015

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Density Functional Theory Study of BF3-Mediated Additions of Enols and [(Trimethylsilyl)oxy]alkenes to an Oxyallyl Cation: Homologous Mukaiyama Reactions.
Luc M LeBlanc, Russell J Boyd, D Jean Burnell

J Phys Chem A· June 2015

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Role of fluoride in accelerating the reactions of dialkylstannylene acetals.
Simiao Lu, Russell J Boyd, T Bruce Grindley

J Org Chem· March 2015

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Assessment of several DFT functionals in calculation of the reduction potentials for Ni-, Pd-, and Pt-bis-ethylene-1,2-dithiolene and -diselenolene complexes.
Eric A C Bushnell, Russell J Boyd

J Phys Chem A· February 2015

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Torquoselectivity in the Nazarov reactions of allenyl vinyl ketones.
Timothy D R Morgan, Luc M LeBlanc, Giselle H Ardagh, Russell J Boyd, D Jean Burnell

J Org Chem· January 2015

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The catalytic formation of leukotriene C4: a critical step in inflammatory processes.
Corey A MacDonald, Eric A C Bushnell, James W Gauld, Russell J Boyd

Phys Chem Chem Phys· August 2014

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The one-electron reduction of dithiolate and diselenolate ligands.
Eric A C Bushnell, Thomas D Burns, Russell J Boyd

Phys Chem Chem Phys· June 2014

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Changing weak halogen bonds into strong ones through cooperativity with beryllium bonds.
Laura Albrecht, Russell J Boyd, Otilia Mó, Manuel Yáñez

J Phys Chem A· June 2014

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Effect of amino acid ligands on the structure of iron porphyrins and their ability to bind oxygen.
Victoria E J Berryman, Matthew G Baker, Russell J Boyd

J Phys Chem A· June 2014

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The one-electron oxidation of a dithiolate molecule: the importance of chemical intuition.
Eric A C Bushnell, Thomas D Burns, Russell J Boyd

J Chem Phys· May 2014

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Dramatic substituent effects on the mechanisms of nucleophilic attack on Se-S bridges.
Otilia Mó, Al Mokhtar Lamsabhi, Manuel Yáñez, Gavin S Heverly-Coulson, Russell J Boyd

J Comput Chem· November 2013

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How do nucleophiles accelerate the reactions of dialkylstannylene acetals? The effects of adding fluoride to dialkoxydi-n-butylstannanes.
Sarah R Whittleton, Russell J Boyd, T Bruce Grindley

J Phys Chem A· November 2013

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Hydrogen bond cooperativity in water hexamers: atomic energy perspective of local stabilities.
Laura Albrecht, Saptarshi Chowdhury, Russell J Boyd

J Phys Chem A· October 2013

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Revealing unexpected mechanisms for nucleophilic attack on S-S and Se-Se bridges.
Gavin S Heverly-Coulson, Russell J Boyd, Otilia Mó, Manuel Yáñez

Chemistry· March 2013

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Mechanism of the Reduction of an Oxidized Glutathione Peroxidase Mimic with Thiols.
Gavin S Heverly-Coulson, Russell J Boyd

J Chem Theory Comput· December 2012

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Cooperativity between hydrogen bonds and beryllium bonds in (H2O)(n)BeX2 (n = 1-3, X = H, F) complexes. A new perspective.
Laura Albrecht, Russell J Boyd, Otilia Mó, Manuel Yáñez

Phys Chem Chem Phys· November 2012

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Self-assembling ADADA helices formed by hydrogen bonding.
Alexis Taylor, Victoria E J Berryman, Russell J Boyd

J Phys Chem A· August 2012

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