selected publications article Alternate Geometries in the Cobalt-Catalyzed Hydroacylation of Dienes Facilitate a High Spin Mechanism: A Density Functional Theory Study. Organometallics. 43:2202-2212. 2024 Association between N-Terminal Pyrenes Stabilizes the Collagen Triple Helix. Journal of Organic Chemistry. 88:11885-11894. 2023 Synthesis of Redox-Active Fluorinated 5-Hydroxytryptophans as Molecular Reporters for Biological Electron Transfer. Chemical Communications. 57:3107-3110. 2021 Computational Study of Phenyliodine Diacetate Intermediates during Lewis Acid Activation with TMSOTf. Arkivoc - Free Internet Journal for Organic Chemistry. 2021 para-Selective Benzylation of Aryl Iodides by the in situ Preparation of ArIF2: a Hypervalent Iodine-Guided Electrophilic Substitution. European Journal of Organic Chemistry. 2302-2305. 2020 DFT Mechanistic Investigation of an Enantioselective Tsuji-Trost Allylation Reaction. Organometallics. 37:3791-3802. 2018 Computational and Quantum Mechanical Analysis of Catalytic Organometallic Reactions. 2016 Research and Creative Activities Week. 2016 Palladium Catalyzed C-C Coupling Reaction from a Computational Quantum Mechanical Perspective. Southern Regional Honors College Council Conference. 2016
presentations presentation Role of Tryptophan and its Derivatives in Elucidating a PCET Mechanism in Azurin, ACS Spring 2020 National Meeting DFT Computational Analysis of the Rhodium Catalyzed Hydroacylation of Aldimines, East Carolina University Research and Creative Achievement Week Divergent mechanistic pathways in a metal-catalyzed hydroacylation reaction, and the role played by a hemilabile P-O-P ligand, American Chemical Society National Meeting, San Francisco, California Does Substance P Sequester Anions in Membranes? Implications for Cellular [Cl-], 255th ACS National Meeting Impact of a Hemilabile Ligand on a Catalytic Hydroacylation Reaction with Divergent Mechanistic Pathways, SERMACS Mechanistic analysis of a palladium-catalyzed enantioselective decarboxylative allylic alkylation reaction, American Chemical Society National Meeting, San Francisco, California Modeling Rhodium-Catalyzed Hydroacylation of Formylstyrene: Competitive Formation of Indanone and Tetralone Products, American Chemical Society National Meeting, San Francisco, California Role of Tryptophan and its Derivatives in Elucidating a PCET Mechanism in Azurin, 2020 Research and Creative Activity Week Stabilizing the Collagen Triple Helix witha Ruthenium(II) Anchor, American Chemical Society National Meeting, San Francisco, California The Computational Evaluation of Ionization Potentials in the Geometric Isomers of Phenylenediamine, East Carolina University Research and Creative Achievement Week
principal investigator on Mechanistic Studies of Decarboxylative Allylation Reactions awarded by ECU HCAS 2014 Acquisition of a High-Performance Computing Cluster Environment in Support of Scientific and Engineering Applications awarded by National Science Foundation 2006 - 2009 Theoretical Studies of New Macrocyclic Molecules awarded by Microelectronics Center of North Carolina 2000 - 2001 Theoretical Investigation of Homogeneous Models of Hydrodenitrogenation Chemistry awarded by American Chemical Society 1998 - 2000 Alkali Metal Binding Studies in a New Class of Redox-Active Macrocyclic Receptors awarded by N.C. Super Computing Center 1999 - 2000 Theoretical Investigation of Mechanisms in Inorganic Chemistry awarded by N.C. Super Computing Center 1997 - 1998 Theoretical Investigation of Catalytic Hydrodesulfurization (HDS) Chemistry awarded by N.C. Super Computing Center 1996 - 1997
co-principal investigator on Acquisition of High Performance Computing Resources in Support of the Consortium for Computational Chemistry and Materials Sciences awarded by National Science Foundation 2004 - 2007
investigator on RUI: Development of Unnatural Tryptophan Derivatives to Expand Tryptophan Function and to Study Biological Catalysis awarded by National Science Foundation (NSF) 2020 - 2023 RUI: Development of Unnatural Tryptophan Derivatives to Expand Tryptophan Function and to Study Biological Catalysis awarded by National Science Foundation CLP 2019
awards and honors Board of Governor's Distinguished Professor for Teaching, conferred by East Carolina University, 2019 Michael F. Bassman Honors Thesis Award, conferred by East Carolina University Honors College, 2018