|
|
QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section08
|
128. ATLAS: Synthesis and Plotting of Hyperfine Patterns of
Electron Spin Resonance Spectra
by Horatio A. Farach and Charles P. Poole, Jr.,
Department of Physics, University of South Carolina,
Columbia, South Carolina 29208
This program plots absorption and first-derivative
electron spin resonance spectra containing between two
and ten hyperfine components of arbitrary amplitude.
The program is restricted to spectra with equally
spaced lines of constant width. The input data consist
of the hyperfine coupling constant (interval in gauss
between lines), the total linewidth, the relative
intensity of each line, the total scan in gauss, and
the center of the spectrum scan in gauss. In addition,
one must select the lineshape (Lorentzian or Gaussian)
and type of display (absorption or first derivative).
When the first derivative plot is obtained, the total
observed peak-to-peak linewidth is also given. In
addition, it is possible to obtain this linewidth
without a graph.
NOTE: Explicit input instructions for using this
program are contained in the COMMENT cards at the
beginning of the program.
FORTRAN IV (IBM 7040)
Lines of Code: 276
Recommended Citation: H. A. Farach and C. P. Poole,
Jr., QCPE 11, 128 (1968).
|
Computational Chemistry List --- QCPE Main --- About This Site
|
