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Full-Text Articles in Applied Mathematics
Imbedding Cayley Graphs, Brian L. Garman
Models For Molecular Vibration, Allan Bruce Capps
Models For Molecular Vibration, Allan Bruce Capps
Masters Theses
“The purpose of the investigation is to determine if a classical model can be used to characterize molecular vibrational and librational (restricted rotation) frequencies. In general, the model treats a molecule as asymmetrical and rigid and simulates the intermolecular forces by springs along the bonds. Molecules constrained to a plane and molecules free to move in three dimensions are analyzed. The frequencies of water molecules are investigated, in particular. The model and analytic components are found to function well. Within the limits set for the model, the water molecule simulation is not successful as the motion becomes anharmonic for energy …