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Summary: Spherical Symmetric Diffusion Problem
EVGENII B. KRISSINEL'
Institute of Water and Environmental Problems, Siberian Branch of the Russian Academy of Sciences,
Papanintsev St. 105, Barnaul 656099, Russia
NOAM AGMON"
Department of Physical Chemistry and the Fritz Haber Research Center, The Hebrew University,
Jerusalem91904, Israel
Received 6 April 1995; accepted 10 October 1995
We introduce a general and versatile MS Windows application for solving the
sphericallysymmetric diffusionproblem, involving up to two coupled
spherically symmetric Smoluchowski equations. The application is based on a
modular, configurable, user-friendly graphicalinterface, in which input
parameters are introduced through a graphical representation of the system of
partial differential equations and output attributes can be obtained graphically
during propagation.
propagation in time; it includes an implementation of .virtual gridding, which
enhances the accuracy of calculatingboundary conditions and steep potentials.
The program has been checked against a wide collection of analytical solutions
and applied to an experimentallyopen problem in excited-state proton-transfer
to solvent.
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