In the Statistical
Mechanics window, Diatomic can plot
distributions at up to four temperatures with
colorcoded curves for
 molecular
speeds
 rotational
state populations
 vibrational
state populations
as
well as plot, as a function of temperature for
each type of motion,
 thermal
energy
 heat
capacity
 entropy
 molecular
partition functions
The
statistical mechanical calculations include the
effects from anharmonic vibrations, centrifugal
distortion, vibrationrotation interaction,
lowlying electronic states, and electronic state
degeneracy.
The
screen image below shows speed distributions for
hydrogen at 100, 300, and 1000 K.
