ON THE SUM RULE FOR MOLECULAR FREQUENCIES
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Publisher:Ohio State University
It is shown that the sum of the squares of the fundamental frequencies of a molecule does not depend explicitly upon molecular geometry. With this sum it is demonstrated that a set of effective cartesian force constants, which are measures of the potential environment of the atoms in a molecule, can be calculated with little difficulty and used to estimate the square frequency sums for a variety of molecules containing common atoms.
Author Institution: Metcalf Research Laboratory Brown University, Providence, Rhode Island, 02912
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