Diatomic illustrates the translational, rotational, and vibrational motions of diatomic molecules from the perspectives of classical, quantum, and statistical mechanics. Diatomic is supplied with 13 diatomic molecules -- CO, H2, N2, O2, NO, HF, HCl, HBr, F2, Cl2, Br2 and I2  -- and the ability to add additional molecules.

Augment your lectures and demonstrations with this unique computer simulation.  Or use the two dozen included activities for computer lab exercises, out-of-class assignments and independent study. The ability to add or edit activities is also provided.

Classical Mechanics

• View 2-D animation of molecular translation, rotation, and vibration either separately or simultaneously.

• View vibration and dissociation using a realistic potential energy function.

• Vary initial energies, molecular orientation, and speed of motion.

• Display molecular clock.

• 3-D animation of molecule.

• Bar graph display of energy distribution for translation, rotation and vibration.

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Quantum Mechanics

• Calculate & plot potential energy curves, wave functions, energy levels, & degeneracies.

• Choose Morse, Lennard-Jones, harmonic or user-defined vibrational potential energy functions.

• 2-D particle-in-a-box wave functions and energy levels

• Rotational section now includes angular momentum,  angular momentum vectors, and rotational wave functions.

• Rotational wave function plots are presented as 3-D spherical color maps.

Statistical Mechanics

• Plots thermal energies, heat capacities, molecular partition functions and entropies vs temperature.

• Display graphsseparately for different motions or on a single graph.

• Color coded plot distributions for up to four temperatures for speed distribution, rotational and vibrational quantum distributions.

• Calculations showing the effects of anharmonic vibrations, vibration-rotation, centrifugal distortion, interaction, low-lying electronic states and  electronic state degeneracy.