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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). |