Masters Theses
Abstract
“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 less than the lowest quantum mechanical energy level. An interesting result is that infinitesimal rotations in three dimensions can be described by two independent variables”--Abstract, page ii.
Advisor(s)
Plummer, O. R.
Committee Member(s)
Plummer, P. L. M.
Penico, Anthony J., 1923-2011
Department(s)
Mathematics and Statistics
Degree Name
M.S. in Applied Mathematics
Publisher
University of Missouri--Rolla
Publication Date
1974
Pagination
x, 52 pages
Note about bibliography
Includes bibliographical references (pages 50-51).
Rights
© 1974 Allan Bruce Capps, All rights reserved.
Document Type
Thesis - Open Access
File Type
text
Language
English
Thesis Number
T 3068
Print OCLC #
6013598
Link to Catalog Record
Recommended Citation
Capps, Allan Bruce, "Models for molecular vibration" (1974). Masters Theses. 3420.
https://scholarsmine.mst.edu/masters_theses/3420
Comments
This work has been supported in part by the Atmospheric Science Section of the National Science Foundation under grant GA-32388.
The author wishes to express gratitude to the University of Missouri--Rolla, the Mathematics Department, and the Cloud Physics Research Center for supporting this thesis.