THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Bruce Mattson and Edward Carberry, Southwest Minnesota State College, Marshall, Minnesota 56258 This is a direct conversion of QCPE 298.

This program is a completely general code for the quantitative prediction of isotope abundances for a molecule or fragment.

The methodology of the program is based on partial isotope analysis which could be thought of as analogous to partial derivatives. The isotope effects of one atom at a time in the molecule are investigated while the isotope effects of the other atoms in the molecule are treated as constants (=1).

All that is required as input is the molecule or fragment formula.

Lines of Code: 248 FORTRAN 77 or IBM Professional FORTRAN