Abstract
A simple formula is presented for calculating the approximate partition function of a hindered internal rotational mode of a polyatomic molecule. The formula gives useful accuracy over the whole range from harmonic oscillator to hindered rotator to free rotator.
Original language | English (US) |
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Pages (from-to) | 266-270 |
Number of pages | 5 |
Journal | Journal of Computational Chemistry |
Volume | 12 |
Issue number | 2 |
DOIs | |
State | Published - Mar 1991 |