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Full-Text Articles in Physics

A Model For Orientation Effects In Electron‐Transfer Reactions, Paul Siders, Robert J. Cave, R.A. Marcus Dec 1984

A Model For Orientation Effects In Electron‐Transfer Reactions, Paul Siders, Robert J. Cave, R.A. Marcus

All HMC Faculty Publications and Research

A method for solving the single‐particle Schrödinger equation with an oblate spheroidal potential of finite depth is presented. The wave functions are then used to calculate the matrix element TBA which appears in theories of nonadiabatic electron transfer. The results illustrate the effects of mutual orientation and separation of the two centers on TBA. Trends in these results are discussed in terms of geometrical and nodal structure effects. Analytical expressions related to TBA for states of spherical wells are presented and used to analyze the nodal structure effects for TBA for the spheroidal wells.


The Kinematic Apse And Jz‐Preserving Propensities For Nonreactive, Dissociative, And Reactive Polyatomic Collisions, D. K. Hoffman, James W. Evans, D. J. Kouri Jan 1984

The Kinematic Apse And Jz‐Preserving Propensities For Nonreactive, Dissociative, And Reactive Polyatomic Collisions, D. K. Hoffman, James W. Evans, D. J. Kouri

Physics and Astronomy Publications

We consider the generalization of the kinematic apse to nonreactive polyatom–polyatom impulsive collisions, dissociative atom–molecule impulsive collisions,and (partially) impulsive reactive atom–diatom collisions. Appropriate generalizations of the kinematic apse are obtained along which there is a classical propensity for preserving the projection of the total intrinsic spin. In the case of reactive scattering, we discuss several different situations for which such a propensity occurs. For reactive systems in which no such propensity exists, the analysis may still provide a basis for classifying reactions.


Competing Irreversible Cooperative Reactions On Polymer Chains, James W. Evans, D. K. Hoffman, D. R. Burgess Jan 1984

Competing Irreversible Cooperative Reactions On Polymer Chains, James W. Evans, D. K. Hoffman, D. R. Burgess

Physics and Astronomy Publications

We analyze model processes involving competition between several irreversible reactions at the sites of a 1D, infinite, uniform polymer chain. These reactionscan be cooperative, i.e., the corresponding rates depend on the state of the surrounding sites. An infinite hierarchy of rate equations is readily derived for the probabilities of various subconfigurations. By exploiting a shielding property of suitable blocks of unreacted sites, we show how exact hierarchy truncation and solution is sometimes possible. The behavior of solutions is illustrated in several cases by plotting families of ‘‘reaction trajectories’’ for varying ratios of reactant concentrations ...


Dynamics Of Two-Point Spatial Correlations For Randomly Hopping Lattice Gases: One-Dimensional Models, James W. Evans, D. K. Hoffman Jan 1984

Dynamics Of Two-Point Spatial Correlations For Randomly Hopping Lattice Gases: One-Dimensional Models, James W. Evans, D. K. Hoffman

Physics and Astronomy Publications

We consider the randomization of correlated, translationally invariant distributions of indistinguishable particles on lattices by random hopping, possibly involving several jump distances with generally different rates (and where double occupancy is excluded). Probabilities for various subconfigurations of n empty sites satisfy infinite closed sets of linear equations (for each n) in which the generator of the dynamics is self-adjoint. We provide a detailed spectral analysis of this generator for the two-point probabilities (or corresponding correlations) on a one-dimensional lattice. For just nearest-neighbor (1NN) and second-nearest-neighbor (2NN) jumps, the dynamics changes smoothly as a function of the ratio of the 2NN- ...


Atlas Of High Resolution Infrared Spectra Of Carbon Dioxide: February 1984 Edition, D. Chris Benner Jan 1984

Atlas Of High Resolution Infrared Spectra Of Carbon Dioxide: February 1984 Edition, D. Chris Benner

Arts & Sciences Articles

Long-path, low-pressure laboratory absorption spectra of carbon dioxide i are presented in an atlas format for the spectral regions 1830 to 2100 cm" , 2395 to 2680 cm-I i , and 3140 to 3235 cm- . The data were recorded at 0.01 cm"I resolution and room temperature with the Fourier transform spectrometer in the McMath solar telescope complex of the National Solar Observatory at Kitt Peak. A list of positions and assignments is given for the 3336 lines observed. A total of 52 bands of 12C1602, 13C1602, 12C160180, 12C160170, and 13C160180 have been identified.