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Introduction to Molecular Mechanics - Mahidol University

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Electronic Structure<br />

Electronic Structure methods: ab initio, DFT, Tight-Binding, semi-empirical QM<br />

Properties of matters/materials can be determined by knowing how<br />

electrons stay in the nanostructures.<br />

• Electronic structure<br />

• Chemical force<br />

• Geometry of molecule,<br />

nanostructure<br />

• Electronic properties<br />

• Thermodynamic<br />

properties<br />

• Mechanical properties<br />

Electronic Structure<br />

Materials Properties

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