Tutorial 4: Structure Building

First you will build an ethanol molecule again, but this time using structures. As another example, you will build a small peptide chain.

Next, you will learn how to use the predefined metal complex structures.

Finally, you will set up your own structures library.

Step 1: Start ADFinput
Step 2: Building an ethanol molecule
Add a methyl group to the methane
Add the hydroxyl group
Add another 'solvent' ethanol
Step 3: Building a peptide chain
Step 4: Metal complexes and ligands
Predefined Metal Complex Geometries
Bidentate Ligands
Modifying the Plane Angle
Step 5: Your own structures library
Defining your structures
Using dummy atoms

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