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Showing 1 to 1 of 1 for “"Morse method"”.
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Theoretical Investigation of the Structure and Vibrational Frequencies of Water and Methanol Complexes
… for the effects of anharmonicity by several methods, two of which are original. The first new method fits a Morse potential function to the energy computed along each normal mode. A second new method is based on fitting a quartic polynomial to energies computed along each normal mode. In …