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341. Chemical Analysis Program
by J. S. Miller, Xerox Corporation, Rochester, New York
14644; Stanley Kirschner, Stanley H. Kravitz and Paul
Ostrowsky, Wayne State University, Detroit, Michigan
48202; and Paul A. Nigray, University of Pennsylvania,
Philadelphia, Pennsylvania 19174
This program is intended to aid in the characterization
of new materials and especially coordination complexes
and nonstoichiometric substances, through comparisons
between observed and calculated elemental analyses.
Through an iterative procedure, the program assimilates
the microanalytical data, i.e., elemental analysis,
and/or molecular weight, and the synthetic components,
e.g., the metal, ligands, counter ions, and solvents,
and prints all the possible formulations which fit the
analytical data within prescribed tolerances. In
addition, a variety of tolerances is supplied by the
user to render the program quite flexible, e.g., for
microanalysis, molecular weight, and empirical formula
comparisons. The program is currently available for
use with a remote terminal; however, slight
modification will permit use for batch jobs.
N.B.: Modifications will be required to use this on
other computers.
FORTRAN IV (Xerox Sigma 9)
Lines of Code: 399
Recommended Citation: J. S. Miller et al., QCPE 11,
341 (1977).
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