Project Grant 2555134
- This three-year, $331,048 National Science Foundation Division of Chemistry Project Grant supports research at Brigham Young University to advance the theory and design of dinuclear catalytic reactions. Principal Investigator Daniel Ess will use computational methods and theoretical analysis to understand reaction mechanisms and selectivity facilitated by heterodinuclear and homodinuclear transition metal catalysts. Specific areas of focus include C-H bond functionalization, C-O bond...
- The National Science Foundation Division of Chemistry awarded Emory University $658,531 on August 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop and apply time-resolved X-ray methods for understanding iron-catalyzed oxidation mechanisms in biological systems. The research team will use photoinitiation methods combined with serial crystallography and X-ray spectroscopy to characterize ferryl and peroxo intermediates in mononuclear non-heme iron enzymes,...
- The National Science Foundation Division of Chemistry awarded the University of California, Los Angeles $600,001 on February 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to conduct experimental and theoretical investigations of organic reaction rates and mechanisms. Professor Kendall N. Houk and his team will use quantum mechanics and molecular dynamics computer calculations to understand factors controlling chemical reactivity, explore detailed reaction...
- Federal Grant Award Summary Brigham Young University received a $487,125 Project Grant from the National Science Foundation's Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049), effective September 1, 2025 through August 31, 2028. Under the GOALI (Grant Opportunities for Academic Liaison with Industry) initiative, Dr. Daniel Ess and Dr. David Michaelis will conduct computational chemistry and machine learning research in collaboration with Chevron Phillips...
- The National Institute of General Medical Sciences awarded Brigham Young University $442,140 on July 1, 2026, under the Biomedical Research and Research Training program (CFDA 93.859) to develop quantum-chemical and data science approaches for modeling multimetallic transition metal catalyzed organic reactions. The work focuses on two reaction types: metal hydrogen atom transfer reactions for alkene functionalization and cross-coupling reactions relevant to drug discovery. The project will...
- The National Science Foundation Division of Chemistry awarded the University of Oklahoma $599,996 on August 15, 2026, to investigate the chemical reactivity of metalloporphyrin nitrosyls and related compounds under the Mathematical and Physical Sciences program (CFDA 47.049). Professor George Richter-Addo and his research group in the Department of Chemistry and Biochemistry will determine the structural and electronic factors that promote formation of carbon-nitrogen bonds mediated by heme...
- The National Science Foundation Division of Chemistry awarded the University of Utah $775,000 on February 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) for research on photocatalytic strategies for carbon-hydrogen bond activation and functionalization. Professor Qilei Zhu of the University of Utah is developing light-driven chemical approaches to enable selective cleavage and modification of aromatic and aliphatic carbon-hydrogen bonds, advancing efficient...
- The University of Utah will use a $550,000 Project Grant from the National Science Foundation Division of Chemistry to examine thermochemistry of metal-ligand bonds and protonated peptides from June 15, 2023 to May 31, 2026. The work falls under the NSF Mathematical and Physical Sciences program (CFDA 47.049), which aims to advance scientific knowledge and understanding in these fields. Professor Peter B. Armentrout and his research group will utilize guided ion beam tandem mass spectrometry...
- This $600,000 Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences (CFDA 47.049) program will support research at the University of Michigan and Trinity University to investigate the structural and electronic properties of high-valent cobalt, nickel, and copper-oxo complexes. The project aims to improve understanding of how metal-oxo versus metal-oxyl character impacts the stability and reactivity of these unstable, yet potentially useful,...
- The University of Utah will provide research services under a $515,000 Project Grant from the National Science Foundation Division of Chemistry through the Mathematical and Physical Sciences federal grant program (CFDA 47.049). Professor Michael Morse and his students will employ laser spectroscopy techniques to study the electronic structure, chemical bonding, and bond dissociation energies of small transition metal and lanthanide molecules. They will generate a molecular beam using laser...
The National Science Foundation Division of Chemistry awarded Brigham Young University $475,422 on August 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop fundamental theories about how atomic momentum controls pathways and product selectivity in transition metal-oxo chemical reactions. Professor Daniel Ess of the Department of Chemistry and Biochemistry is using quasi-classical ab initio molecular dynamics trajectories combined with quantum mechanical and classical mechanical methods to understand mechanisms and selectivity in metal-oxo reactions with hydrocarbons. The research focuses on heme and non-heme metal-oxo systems and employs modeling techniques that account for explicit solvent effects, electronic spin state hopping, and light and heavy atom tunneling. Metal-oxo reaction classes under examination include oxygen rebound/oxygenation, desaturation, and epoxidation reactions. The work integrates computational chemistry, inorganic chemistry, organic chemistry, and computer science, serving as a training ground for workforce preparation. Understanding metal-oxo reaction mechanisms is vital to the foundational interpretation and design of these reactions, which are central to organic, inorganic, and biological chemistry and important for advanced manufacturing of fine chemicals. Performance occurs in Provo, Utah, with a period of performance extending from the award date through July 31, 2029. No sub-awards are planned.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $475.4k | 8/11/26 |