VECTOR REPRESENTATION OF LARGE-AMPLITUDE VIBRATIONS FOR THE DETERMINATION OF KINETIC-ENERGY FUNCTIONS
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In order to calculate the reduced mass for a particular vibrational motion it is necessary to determine the coordinates of each of the atoms as a function of the vibrational coordinate. This work describes how the use of vectors simplifies the representation of the molecular structure. The ring puckering, ring angle deformation, and MH2 rocking motions of a four-membered ring, and the ring puckering, ring twisting, and M-X inversion motions of a five-membered ring are examined in detail. 1982.