This National Science Foundation (NSF) Project Grant award under the Mathematical and Physical Sciences (CFDA 47.049) program provides $301,463 to the University of Missouri System to conduct a computational chemistry study of non-covalent interactions. The research team at the University of Missouri Science & Technology will use quantum mechanics-based computational methods to investigate fundamental aspects of non-covalent interactions, such as halogen, chalcogen, and pnictogen bonding, and how these interactions impact the optoelectronic properties of organic semiconducting materials. The project will also examine hydrogen bonding in water clusters to facilitate comparison with experimental measurements. This work aims to advance the understanding of non-covalent interactions and accelerate the development of novel materials for applications in flexible electronics, clean energy, water purification, and more. The award period runs from November 1, 2024 to August 31, 2025.
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