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THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

Main / Catalog / Section11

QCMP007. SCFMO: PPP-SCF Calculation with CI by Stephen P. Molnar, Polymer Science, Organic Chemistry, 1921 Hillside Dr., Columbus, Ohio 43221

Converted by A. J. Kresch and P. Dwyer- Halquist, Appleton Papers Inc., Appleton, Wisconsin 54912

This program calculates MO's in the Pariser- Parr-Pople approximation. It is a direct conversion of QCPE 314 to the IBM-PC. Modifications for the IBM-PC include keyboard data entry and full monitor printout.

FORTRAN 77 (Microsoft FORTRAN) Lines of Code: 650

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