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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section04


224. FINITE: Finite Perturbation Calculation of NMR Coupling Constants

by Neil S. Ostlund, Department of Chemistry, University of Arkansas, Fayetteville, Arkansas 72701

This is a complete program which performs CNDO and INDO molecular orbital calculations of the Fermi contact contribution to indirect nuclear spin-spin coupling constants using the finite perturbation technique.

FORTRAN IV Lines of Code: 1564 Recommended Citation: N. S. Ostlund, QCPE 11, 224 (1972).


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