The spectrophone method for the study of vibrational relaxation
has been claimed to possess a distinct advantage over the more commonly
used ultrasonic techniques in that it permits the relaxation of
the various infrared-active vibrational modes in a polyatomic molecule
to be studied separately. A discussion of the rate equations...
A variety of laser spectroscopic methods are employed in this
thesis research for studies of CF₃NO, an interesting model
photodissociative system, and for investigation of low energy rotations
and vibrations of small molecules and low molecular weight clusters in
free jet expansions.
Nonradiative energy decay for electronically excited CF₃NO is...
Molecular dynamics is a technique in which the
trajectories of a group of particles are calculated as a
function of time by integrating the equations of motion. In
this thesis we study the use of molecular dynamics for atoms
in a crystal.
A model is introduced which describes interactions of...
The development of a least squares model for the
determination of compliance constants from various combinations
of vibration frequency, mean square amplitudes
of vibration and centrifugal distortion data is discussed.
The resultant model is applied to frequency and mean square
amplitude data for NO₂ and N₂O₄ and to frequency and...
This thesis presents a study of applications and techniques for molecular dynamics simulations. Three studies are presented that are intended to improve our ability to simulate larger systems more realistically. A comparison study of two- and three-body potential models for liquid and amorphous Si0₂ is presented. The structural, vibrational, and...