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Showing 1 to 1 of 1 for “"intermolecular frequency"”.
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Theoretical Investigation of the Structure and Vibrational Frequencies of Water and Methanol Complexes
… methods, and is more successful at predicting intermolecular frequencies than the anharmonic VSCF methods found in GAMESS software. Variational calculations using the quartic polynomials produce estimates of frequencies comparable to the more costly VSCF method. Both the Morse method and …