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VIBRATIONAL ANHARMONICITY IN $CF_{4}$ -- APPLICATION TO THE INTENSITIES OF OVERTONES AND COMBINATIONS IN THE IR SPECTRUM

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/10577

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Title: VIBRATIONAL ANHARMONICITY IN $CF_{4}$ -- APPLICATION TO THE INTENSITIES OF OVERTONES AND COMBINATIONS IN THE IR SPECTRUM
Creators: Suzuki, Isao; Golden, William G.; Marcott, Curtis; Overend, John
Issue Date: 1978
Abstract: A computational algorithm has been developed by which it is possible to include the effects of nonbonded interactions and intramolecular tensions in the anharmonic force field. This algorithm has been used to determine a new anharmonic potential function for $CF_{4}$. The potential function has been used to calculate the vibrational anharmonicities, rotational constants, anharmonic splittings and the anharmonic wavefunctions. The latter have been applied in a new interpretation of the intensities of the overtone and combination bands in the infrared spectrum of $CF_{4}$.
URI: http://hdl.handle.net/1811/10577
Other Identifiers: 1978-TA-07
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