Ben Acree, Rupert McCormac, George Fullbright, Susan Weaver, Kristin D. Krantzman
Here, we report a method for visualizing the numerical results of molecular-dynamics simulations using a program (Mathematica) that is often readily available at undergraduate institutions. The results are beautiful, high-quality graphical animations of chemical reactions. These animations, or movies, of chemical reactions make theoretical chemistry accessble to both undergraduate students and colleagues who are not physical chemists. By actually showing students a picture of physical models, abstract ideas are made concrete and students are able to internalize the Dalton model of chemical reactions.
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