Browsing Department of Mathematics and Statistics (UMKC) by Thesis Semester "2024 Spring"
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DFT study of electronic structure and mechanical properties of clay minerals, and using large-scale supercell modeling for solvated montmorillonite
(2024)Clay mineral materials have attracted attention due to their many properties and applications. The applications of clay minerals are closely linked to their structure and composition. Here, we studied the electronic structure ...