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Unformatted text preview: By direct summation calculate the partition function and the average rotational energy of the HF molecule at these temperatures. Use your own discretion to which of the terms retain in the calculation in order to be accurate within about 1%. Compare your results to the approximate value given by classical mechanics E = k B T . 4. Plot the probabilities of an HF molecule to be in a rotational level J at T = 100 K and T = 300 K. 5. In class we derived the partition function of the harmonic oscillator: Q vib ( T ) = e h /2 k B T 1 e h / k B T . Starting from this equation calculate the average vibrational energy of I 2 gas at 300 K. ( h = 214.2 cm-1 )....
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This document was uploaded on 06/23/2009.
- Spring '09