Diatomic v 2.1 - Statistical Mechanics
In the Statistical
Mechanics window, Diatomic can plot
distributions at up to four temperatures with
color-coded curves for
as well as plot, as a function of temperature for each type of motion,
The statistical mechanical calculations include the effects from anharmonic vibrations, centrifugal distortion, vibration-rotation interaction, low-lying electronic states, and electronic state degeneracy.
The screen image below shows speed distributions for hydrogen at 100, 300, and 1000 K.