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Articles by J. Brannon Gary
Democratic Teaching in BYU’s American Heritage Course: Teaching Citizenship While Improving Learning
Keywords democratic teaching, American Heritage, citizenship, educators College Family, Home, and Social Sciences Abstract Democratic teaching is a topic that is popular among educators. What it essentially means is that students are given opportunities to choose how and possibly what they learn. A major concern in the social sciences is how well schools and universities are preparing students to become responsible and contributing citizens. Dr. J.
Imidazolate‐Stabilized Cu(III): Dioxygen to Oxides at Type 3 Copper Sites
Conflict of Interests The authors declare no conflict of interest. Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.
Exascale Agent-Based Modelling for Policy Evaluation in Real-Time (ExAMPLER)
Heppenstall, A. , Polhill, J. G., Batty, M., Hare, M., Salt, D. and Milton, R. (2023) Exascale Agent-Based Modelling for Policy Evaluation in Real-Time (ExAMPLER). In: 12th International Conference on Geographic Information Science (GIScience 2023), Leeds, UK, 12-15 Sept 2023, 38:1-38:5. ISBN 9783959772884 Text 306171.pdf - Published Version Available under License Creative Commons Attribution.
Computational Investigation of the Preferred Binding Modes of N2O in Group 8 Metal Complexes
Download Hi-Res ImageDownload to MS-PowerPointCite This:Inorg. Chem. 2020, XXXX, XXX RETURN TO ARTICLES ASAPPREVArticleNEXT Kylie Fields Kylie Fields Department of Chemistry and Biochemistry, Stephen F. Austin State University, P.O. Box 13006 SFA Station, Nacogdoches, Texas 75962-3006, United States , Brian M. Barngrover, and J.
Experimental and Computational Investigation of the Aerobic Oxidation of a Late Transition Metal-Hydride
The rational development of homogeneous catalytic systems for selective aerobic oxidations of organics has been hampered by the limited available knowledge of how oxygen reacts with important organometallic intermediates. Recently, several mechanisms for oxygen insertion into late transition metal-hydride bonds have been described.
Cooperative Metal + Ligand Oxidative Addition and σ-Bond Metathesis: A DFT Study
A computational study of the experimentally proposed mechanism of alkyne diboration by a PDICo complex yielded two fundamental catalytic steps that undergo remarkable electronic changes (PDI = bis(imino)pyridine). The reactions are envisaged via DFT (density functional theory) and MCSCF (multiconfiguration self-consistent field) simulations as (i) a cooperative metal + ligand oxidative addition and (ii) a ?-bond metathesis induced ligand to metal charge transfer.
Mechanistic Studies of Single-Step Styrene Production Using a Rhodium(I) Catalyst
The direct and single-step conversion of benzene, ethylene, and a Cu(II) oxidant to styrene using the Rh(I) catalyst (FlDAB)Rh(TFA)(?2-C H ) [FlDAB = N,N?-bis(pentafluorophenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene; TFA = trifluoroacetate] has been reported to give quantitative yields (with Cu(II) as the limiting reagent) and selectivity combined with turnover numbers >800. This report details mechanistic studies of this catalytic process using a combined experimental and computational approach.
Direct Copper(III) Formation from O2 and Copper(I) with Histamine Ligation
Histamine chelation of copper(I) by a terminal histidine residue in copper hydroxylating enzymes activates dioxygen to form unknown oxidants, generally assumed as copper(II) species. The direct formation of copper(III)-containing products from the oxygenation of histamine-ligated copper(I) complexes is demonstrated here, indicating that copper(III) is a viable oxidation state in such products from both kinetic and thermodynamic perspectives.
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