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DFT calculations using Dmol3 tool || Dr. Gaurav Jhaa
DMol3 is a simulation tool in Materials Studio that uses Density Functional Theory (DFT) to calculate the properties of materials. The tool is designed to perform molecular simulations and analysis, including molecular dynamics and molecular interactions. DMol3 is a powerful tool for understanding the behavior of materials at the microscopic ...
3.1K viewsMay 24, 2023
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