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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section07


301. MOLFOR: Elemental Compositions Program

by M. A. Grayson and J. M. Putnam, McDonnell-Douglas Research Labs, St. Louis, Missouri 63166

This program is intended for use in a time-sharing interactive mode. It computes possible elemental compositions given an accurate mass measurement and the error in measurement.

The elemental compositions are calculated using the nuclidic masses in Appendix I of Kiser's Introduction to Mass Spectrometry and Its Applications.

The program handles H, B10, C, C13, N, O, Si28, Si29, Si30, P, S32, S34, Cl35, Cl37, BR79, BR81, and I.

FORTRAN IV (Not ASA) Lines of Code: 267 Recommended Citation: M. A. Grayson and J. M. Putnam, QCPE 11, 301, (1976).


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