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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section11


QCMP015. Characteristic Polynomial Program by E. C. Kirby, Resource Use Institute, 14 Lower Oakfield, Pitlochry, Perthshire PH16 5DS, Scotland

This is a program to evaluate the coefficients of the characteristic polynomial for a conjugated system. It can be used for a "hydrogen-suppressed" chemical graph with maximum vertex valency three. The program is in two versions:CP1 for unmodified hydrocarbons only, and CP2, which can do the same work but which will also accept hetero- systems with nonstandard resonance or Coulomb integrals. CP1 is a little simpler and is faster to run.

BASICA Lines of Code: 370


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