Obvious example is the analysis of chemical kinetics of complex chemical reaction. Along using this program student write chemical equation for each simple reaction and value of rate constant of this reaction. After solving the system of differential equations it is possible to receive graph for time dependence of the concentrations for up to 15 substances involved in maximum 10 reactions and table of current concentrations. This program also allows us to determine the values of rate constants using experimental data of current concentrations. They may see that for this system cited equation satisfactory describes system behavior.
Every student draws phase diagram of water very easily.
But is is difficult to draw this chart in S, T coordinates. Computer also allows us to draw full scale detailed chart. For instance the phase diagram of water in most of textbooks is drawn schematically. For many students it is difficult to imagine the shape of potential energy surface when studying theory of transitional state in chemical kinetics. Obtaining reference information.