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What is the relationship between molecular modeling and mathematics?

The following exercise requires that you know how to use Jmol. If you do not please review these labs first. Introduction to Molecular Modeling

Ice and Ice Tetrahedrons


Rotate and zoom the two molecules. The scene at the left contains many more molecules of water, but both are structures exist in ice.

Question 14: What is so special about the structure of ice?

Question 15: What is a tetrahedron? If you don't know. Try these exercises.

1) Draw the ice-tetra of five water molecules on a piece of paper. Connect all oxygen (red atoms with a line).The structure formed by the lines (excluding the center oxygen atom is a tetrahedron.

Question 16: Draw a tetrahedron.

Can you find the tetrahedron structures in ice?




Rotate and zoom the methane molecule. You may have to make the molecule larger to see all the detail. Notice that the molecule has 5 atoms. A center carbon atom and 4 hydrogen atoms.

Question 18: What is the chemical formula for methane?

Is the H-C-H angle formed for each set of H-C-H the same? Measure the angle formed for each H-C-H set of bonds.

Question 19: Is the methane molecule a tetrahedral structure?Explain Why.



Benzene has a unique structure.

Question 20: What geometric shape is benzene?

Using the JMol software measure each interior (inside) angle of Benzene.

Question 21: What is the measurement of each interior angle of benzene?What is the sum of the interior angles of a hexagon:?

Buckeyball (Fullerene)


The fullerene is composed of only one atom type.

Question 22. What single atom is the buckeyball made of? (Hint click on any atom and look at the bottom bar to see the atom type.)

Question 23: What geometric shapes are found in the buckeyball?