Vibrational force constants of benzene: MO analysis

MOLECULAR PHYSICS(2006)

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摘要
The force constants of the planar skeleton vibrations of benzene are calculated according to an SCF method which should be more generally useful than the one given recently by Tric. It appears that in the SCF approximation the results of a calculation of both u.v. spectra and vibrational force constants with one set of parameters are not entirely satisfactory.
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