Lionel M. Raff
Multidimensional Molecular Dynamics Methods
Editor, D. L. Thompson, World Scientific Pub., Inc.
Abstract
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Theoretical methods and investigations of physical and
chemical processes occurring in matrices at cryogenic temperatures
are described. Methods for treating phenomenological rate data
are discussed with emphasis on inhomogeneous systems that exhibit
a distribution of diffusion coefficients within the matrix
environment. Previous investigations of mobility and diffusion
are reviewed. Methods employing energy decay plots and power
spectrum line splittings to obtain energy transfer rate coefficients
between an embedded substrate and the phonon modes of the matrix
are described. The Chapter examines the methods that have
proven to be the most useful in the theoretical study of matrix-
isolated chemical reactions. Applications to isomerization
reactions, unimolecular decomposition and bimolecular reactions
are given and discussed.