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The Vibrational Partition Function qv calculation
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Topic: The Vibrational Partition Function qv calculation (Read 1998 times)
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raykel
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The Vibrational Partition Function qv calculation
«
on:
October 02, 2015, 06:24:48 PM »
I know how to calculate qv = 1/(1-e^-hv/kt)
but if the question state the following
The real vibrational frequencies in the activated state are 2300 cm-1 and 400 cm-1 doubly degenerate
How do i treat it when its doubly degenerate?
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Corribus
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Re: The Vibrational Partition Function qv calculation
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Reply #1 on:
October 03, 2015, 10:21:08 AM »
There's a degeneracy coefficient in the partition coefficient expression.
https://en.wikipedia.org/wiki/Partition_function_(statistical_mechanics
)
See about 1/3 of the way down the page, coefficient g
j
.
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The Vibrational Partition Function qv calculation