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QCPE
THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE
Main / Catalog / Section09
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293. MSIM4: Stochastic Mechanism Simulator
by D. L. Bunker, Department of Chemistry, University of
California, Irvine, California 92664 and F. A. Houle,
Department of Chemistry, California Institute of
Technology, Pasadena, California 91125
This program, given rate constants and a mechanism,
simulates concentrations vs. time by a stochastic
method that avoids the numerical solution of
differential equations. Temperature and pressure may
be allowed to vary if desired. The program has been
designed for minimal familiarity with computing
procedures and can either be treated as a black box or
have any selection of its default parameters
overridden. The manual includes a brief introduction
to simulation, with examples from organic chemistry.
The random number propagator (more universal than the
one distributed with QCPE 273) can be detached and used
for other purposes.
FORTRAN IV
Lines of Code: 925
Recommended Citation: D. L. Bunker and F. A. Houle,
QCPE 11, 293 (1976).
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