blob: 50c3ad1cd6821b85e1e4a23fc60b9963765fab0b (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
|
////
//Variable Declarations
h = 6.626e-34 //Planks constant, J.s
k = 1.38e-23 //Boltzman constant, J/K
c = 3.0e8 //speed of light, m/s
T = 298 //Temeprature, K
nubar = list(450, 945, 1100) //Vibrational mode frequencies for OClO, 1/cm
//Calculations
Qv = 1.
for i = nubar
qv = 1/(1.-exp(-h*c*100*i/(k*T)))
printf("\nAt %4.0f 1/cm the q = %4.3f',i,qv)
Qv = Qv*qv
end
//Results
printf("\n Total Vibrational partition function for OClO at %4.1f K is %4.3f",T, Qv)
|